3-bromo-4-chloroquinoline-6-carbonitrile

C10H4BrClN2 — CID 22647192

IUPAC3-bromo-4-chloroquinoline-6-carbonitrile
SMILESN#Cc1ccc2ncc(Br)c(Cl)c2c1
InChIInChI=1S/C10H4BrClN2/c11-8-5-14-9-2-1-6(4-13)3-7(9)10(8)12/h1-3,5H
InChIKeyZLSCWTTYXNRHNN-UHFFFAOYSA-N
MW267.51 g/mol
LogP3.52
Rot. Bonds

About 3-bromo-4-chloroquinoline-6-carbonitrile

3-bromo-4-chloroquinoline-6-carbonitrile (PubChem CID 22647192) has the molecular formula C10H4BrClN2 and a molecular weight of 267.51 g/mol. Its IUPAC name is 3-bromo-4-chloroquinoline-6-carbonitrile.

Molecular Properties

Compound Name3-bromo-4-chloroquinoline-6-carbonitrile
PubChem CID22647192
Molecular FormulaC10H4BrClN2
Molecular Weight267.51 g/mol
Exact Mass265.92
IUPAC Name3-bromo-4-chloroquinoline-6-carbonitrile
SMILESN#Cc1ccc2ncc(Br)c(Cl)c2c1
InChIInChI=1S/C10H4BrClN2/c11-8-5-14-9-2-1-6(4-13)3-7(9)10(8)12/h1-3,5H
InChIKeyZLSCWTTYXNRHNN-UHFFFAOYSA-N
XLogP3.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-6-cyclopropylquinoline
CID 164647783
3-bromo-4-chloro-6-(4-methylphenoxy)quinoline
CID 114759872
3-bromo-4-formylbenzonitrile
CID 20510518
benzonitrile;4-bromo-3-iodoquinoline
CID 175074751
2-(4-bromophenyl)quinazoline-6-carbonitrile
CID 101015506
4-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003619
2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
CID 166795351
indolo[3,2-d][1]benzazepine-9-carbonitrile
CID 139963449
4-chloro-6-(diethylamino)quinoline-3-carbonitrile
CID 63180357
4-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-chlorobenzonitrile
CID 107810649
3-bromo-4-[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 107791865
3-bromo-4-iodobenzonitrile
CID 26598355

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloroquinoline-6-carbonitrile?
The IUPAC name of 3-bromo-4-chloroquinoline-6-carbonitrile (CID 22647192) is 3-bromo-4-chloroquinoline-6-carbonitrile.
What is the SMILES notation for 3-bromo-4-chloroquinoline-6-carbonitrile?
The canonical SMILES for 3-bromo-4-chloroquinoline-6-carbonitrile is N#Cc1ccc2ncc(Br)c(Cl)c2c1.
What is the InChIKey of 3-bromo-4-chloroquinoline-6-carbonitrile?
The InChIKey is ZLSCWTTYXNRHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClN2/c11-8-5-14-9-2-1-6(4-13)3-7(9)10(8)12/h1-3,5H.
What are the key properties of 3-bromo-4-chloroquinoline-6-carbonitrile?
3-bromo-4-chloroquinoline-6-carbonitrile has a molecular weight of 267.51 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloroquinoline-6-carbonitrile is sourced from PubChem (CID 22647192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).