6-Fluoro-4-methylindole-2-carboxylic Acid - CAS 1249870-64-1

Catalog:	BB006038
Product Name:	6-Fluoro-4-methylindole-2-carboxylic Acid
CAS:	1249870-64-1
Synonyms:	6-fluoro-4-methyl-1H-indole-2-carboxylic acid; 6-fluoro-4-methyl-1H-indole-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-fluoro-4-methyl-1H-indole-2-carboxylic acid
Description:	6-Fluoro-4-methylindole-2-carboxylic Acid (CAS# 1249870-64-1) is a useful research chemical.
Molecular Weight:	193.17
Molecular Formula:	C10H8FNO2
Canonical SMILES:	CC1=CC(=CC2=C1C=C(N2)C(=O)O)F
InChI:	InChI=1S/C10H8FNO2/c1-5-2-6(11)3-8-7(5)4-9(12-8)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:	IUUOGPKUINKWJC-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020243135-A1	Fused heterocyclic derivatives	20190528
AU-2018361365-A1	Novel, highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV)	20171102
TW-201925199-A	Novel highly active pyrazolopiperidine substituted indole-2-carbamide which is active against hepatitis B virus (HBV)	20171102
WO-2019086142-A1	Novel, highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis b virus (hbv)	20171102
CA-3081399-A1	Novel, highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis b virus (hbv)	20171102

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
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[17746-05-3]
Undecanoyl chloride
[35153-16-3]
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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.05390666
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.05390666
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4