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4-(Difluoromethyl)-6-chloro-2-(methylethyl)pyrazolo[3,4-b]pyridine

4-(Difluoromethyl)-6-chloro-2-(methylethyl)pyrazolo[3,4-b]pyridine - CAS 1018127-78-0

Catalog:	BB052730
Product Name:	4-(Difluoromethyl)-6-chloro-2-(methylethyl)pyrazolo[3,4-b]pyridine
CAS:	1018127-78-0
Synonyms:	6-Chloro-4-(difluoromethyl)-2-isopropyl-2H-pyrazolo[3,4-b]pyridine

Technical Data

Computed Properties

IUPAC Name:	6-chloro-4-(difluoromethyl)-2-propan-2-ylpyrazolo[3,4-b]pyridine
Molecular Weight:	245.65
Molecular Formula:	C10H10ClF2N3
Canonical SMILES:	CC(C)N1C=C2C(=CC(=NC2=N1)Cl)C(F)F
InChI:	InChI=1S/C10H10ClF2N3/c1-5(2)16-4-7-6(9(12)13)3-8(11)14-10(7)15-16/h3-5,9H,1-2H3
InChI Key:	QFLWVBIBJWMOEJ-UHFFFAOYSA-N
Boiling Point:	342.4±37.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[16263-54-0]
3,6-Dichlorobenzo[d]isoxazole

Pyrazoles

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.0531313
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.0531313
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1