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

C16H11BrN2O2 — CID 118947861

IUPAC6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccncc2)nc2ccc(Br)cc2c1C(=O)O
InChIInChI=1S/C16H11BrN2O2/c1-9-14(16(20)21)12-8-11(17)2-3-13(12)19-15(9)10-4-6-18-7-5-10/h2-8H,1H3,(H,20,21)
InChIKeyCVXJEKAZLJYIQG-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.07
Rot. Bonds2

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

6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid (PubChem CID 118947861) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
PubChem CID118947861
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccncc2)nc2ccc(Br)cc2c1C(=O)O
InChIInChI=1S/C16H11BrN2O2/c1-9-14(16(20)21)12-8-11(17)2-3-13(12)19-15(9)10-4-6-18-7-5-10/h2-8H,1H3,(H,20,21)
InChIKeyCVXJEKAZLJYIQG-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid (CID 118947861) is 6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid is Cc1c(-c2ccncc2)nc2ccc(Br)cc2c1C(=O)O.
What is the InChIKey of 6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
The InChIKey is CVXJEKAZLJYIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c1-9-14(16(20)21)12-8-11(17)2-3-13(12)19-15(9)10-4-6-18-7-5-10/h2-8H,1H3,(H,20,21).
What are the key properties of 6-bromo-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid?
6-bromo-3-methyl-2-pyridin-4-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-3-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 118947861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).