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6-Chloro-2-isobutyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

6-Chloro-2-isobutyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine - CAS 1018127-90-6

Catalog:	BB052748
Product Name:	6-Chloro-2-isobutyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
CAS:	1018127-90-6
Synonyms:	6-Chloro-2-isobutyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

Technical Data

Computed Properties

IUPAC Name:	6-chloro-2-(2-methylpropyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Molecular Weight:	277.67
Molecular Formula:	C11H11ClF3N3
Canonical SMILES:	CC(C)CN1C=C2C(=CC(=NC2=N1)Cl)C(F)(F)F
InChI:	InChI=1S/C11H11ClF3N3/c1-6(2)4-18-5-7-8(11(13,14)15)3-9(12)16-10(7)17-18/h3,5-6H,4H2,1-2H3
InChI Key:	JKVHELGHKBOEHZ-UHFFFAOYSA-N
Boiling Point:	337.7±37.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1876647-04-9]
3-Bromo-1-(3,3,3-trifluoropropyl)-1H-pyrazole

Complexity:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.0593595
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.0593595
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9