4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid

C7H5BrClNO2 — CID 71757352

IUPAC4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)c(Br)c1Cl
InChIInChI=1S/C7H5BrClNO2/c1-3-6(9)5(8)4(2-10-3)7(11)12/h2H,1H3,(H,11,12)
InChIKeyCDNKCFKEXAESCN-UHFFFAOYSA-N
MW250.48 g/mol
LogP2.50
Rot. Bonds1

About 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid

4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid (PubChem CID 71757352) has the molecular formula C7H5BrClNO2 and a molecular weight of 250.48 g/mol. Its IUPAC name is 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid
PubChem CID71757352
Molecular FormulaC7H5BrClNO2
Molecular Weight250.48 g/mol
Exact Mass248.92
IUPAC Name4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)c(Br)c1Cl
InChIInChI=1S/C7H5BrClNO2/c1-3-6(9)5(8)4(2-10-3)7(11)12/h2H,1H3,(H,11,12)
InChIKeyCDNKCFKEXAESCN-UHFFFAOYSA-N
XLogP2.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid (CID 71757352) is 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid is Cc1ncc(C(=O)O)c(Br)c1Cl.
What is the InChIKey of 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid?
The InChIKey is CDNKCFKEXAESCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO2/c1-3-6(9)5(8)4(2-10-3)7(11)12/h2H,1H3,(H,11,12).
What are the key properties of 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid?
4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid has a molecular weight of 250.48 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 71757352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).