6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid

C16H11BrN2O2 — CID 60984137

IUPAC6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
SMILESCc1cc(Br)cc2c(C(=O)O)cc(-c3cccnc3)nc12
InChIInChI=1S/C16H11BrN2O2/c1-9-5-11(17)6-12-13(16(20)21)7-14(19-15(9)12)10-3-2-4-18-8-10/h2-8H,1H3,(H,20,21)
InChIKeyGGRHPVQPVAASCE-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.07
Rot. Bonds2

About 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid

6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid (PubChem CID 60984137) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
PubChem CID60984137
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
SMILESCc1cc(Br)cc2c(C(=O)O)cc(-c3cccnc3)nc12
InChIInChI=1S/C16H11BrN2O2/c1-9-5-11(17)6-12-13(16(20)21)7-14(19-15(9)12)10-3-2-4-18-8-10/h2-8H,1H3,(H,20,21)
InChIKeyGGRHPVQPVAASCE-UHFFFAOYSA-N
XLogP4.07
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
6-bromo-7-fluoro-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 61357543
6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4217087
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
CID 83917075
1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid (CID 60984137) is 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid is Cc1cc(Br)cc2c(C(=O)O)cc(-c3cccnc3)nc12.
What is the InChIKey of 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid?
The InChIKey is GGRHPVQPVAASCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c1-9-5-11(17)6-12-13(16(20)21)7-14(19-15(9)12)10-3-2-4-18-8-10/h2-8H,1H3,(H,20,21).
What are the key properties of 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid?
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid has a molecular weight of 343.18 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 60984137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).