6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline

C11H7BrClF2N — CID 165443847

IUPAC6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
SMILESCc1cc(C(F)F)nc2cc(Cl)c(Br)cc12
InChIInChI=1S/C11H7BrClF2N/c1-5-2-10(11(14)15)16-9-4-8(13)7(12)3-6(5)9/h2-4,11H,1H3
InChIKeyQHQIAFDCRLPWDD-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.90
Rot. Bonds1

About 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline

6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline (PubChem CID 165443847) has the molecular formula C11H7BrClF2N and a molecular weight of 306.54 g/mol. Its IUPAC name is 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline.

Molecular Properties

Compound Name6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
PubChem CID165443847
Molecular FormulaC11H7BrClF2N
Molecular Weight306.54 g/mol
Exact Mass304.94
IUPAC Name6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
SMILESCc1cc(C(F)F)nc2cc(Cl)c(Br)cc12
InChIInChI=1S/C11H7BrClF2N/c1-5-2-10(11(14)15)16-9-4-8(13)7(12)3-6(5)9/h2-4,11H,1H3
InChIKeyQHQIAFDCRLPWDD-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine
CID 113445330
6-bromo-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 113363437
7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
CID 113445336
5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
CID 107593556
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
CID 82766655
6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 103996806
6-bromo-2,4,7-trichloroquinazoline
CID 45379709
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
CID 62891436
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130069571
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069543
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793
4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline
CID 62892117

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline?
The IUPAC name of 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline (CID 165443847) is 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline.
What is the SMILES notation for 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline?
The canonical SMILES for 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline is Cc1cc(C(F)F)nc2cc(Cl)c(Br)cc12.
What is the InChIKey of 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline?
The InChIKey is QHQIAFDCRLPWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF2N/c1-5-2-10(11(14)15)16-9-4-8(13)7(12)3-6(5)9/h2-4,11H,1H3.
What are the key properties of 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline?
6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline has a molecular weight of 306.54 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline is sourced from PubChem (CID 165443847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).