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

C7H5BrClNO2 — CID 168844397

IUPAC2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(Cl)nc(Br)c1C(=O)O
InChIInChI=1S/C7H5BrClNO2/c1-3-2-4(9)10-6(8)5(3)7(11)12/h2H,1H3,(H,11,12)
InChIKeyRGCKDVDHWDNATF-UHFFFAOYSA-N
MW250.48 g/mol
LogP2.50
Rot. Bonds1

About 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid

2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid (PubChem CID 168844397) has the molecular formula C7H5BrClNO2 and a molecular weight of 250.48 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid
PubChem CID168844397
Molecular FormulaC7H5BrClNO2
Molecular Weight250.48 g/mol
Exact Mass248.92
IUPAC Name2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(Cl)nc(Br)c1C(=O)O
InChIInChI=1S/C7H5BrClNO2/c1-3-2-4(9)10-6(8)5(3)7(11)12/h2H,1H3,(H,11,12)
InChIKeyRGCKDVDHWDNATF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid (CID 168844397) is 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid is Cc1cc(Cl)nc(Br)c1C(=O)O.
What is the InChIKey of 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid?
The InChIKey is RGCKDVDHWDNATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO2/c1-3-2-4(9)10-6(8)5(3)7(11)12/h2H,1H3,(H,11,12).
What are the key properties of 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid?
2-bromo-6-chloro-4-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 2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 168844397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).