5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid

C7H6BrClN2O4 — CID 175334729

IUPAC5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid
SMILESCc1c(Br)cnc(Cl)c1C(=O)O.O=NO
InChIInChI=1S/C7H5BrClNO2.HNO2/c1-3-4(8)2-10-6(9)5(3)7(11)12;2-1-3/h2H,1H3,(H,11,12);(H,2,3)
InChIKeyKIVGNVFHDMMDQT-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.65
Rot. Bonds1

About 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid

5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid (PubChem CID 175334729) has the molecular formula C7H6BrClN2O4 and a molecular weight of 297.49 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid.

Molecular Properties

Compound Name5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid
PubChem CID175334729
Molecular FormulaC7H6BrClN2O4
Molecular Weight297.49 g/mol
Exact Mass295.92
IUPAC Name5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid
SMILESCc1c(Br)cnc(Cl)c1C(=O)O.O=NO
InChIInChI=1S/C7H5BrClNO2.HNO2/c1-3-4(8)2-10-6(9)5(3)7(11)12;2-1-3/h2H,1H3,(H,11,12);(H,2,3)
InChIKeyKIVGNVFHDMMDQT-UHFFFAOYSA-N
XLogP2.65
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide
CID 57358282
2,4-dichloro-5-methylpyridine-3-carboxylic acid
CID 174770663
4-amino-5-bromo-2-methylpyridine-3-carboxylic acid
CID 142411645
2,4-dichloro-5-hydroxypyridine-3-carboxylic acid
CID 141452317
5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid
CID 83668119
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
5-tert-butyl-2,4-dichloropyridine-3-carboxylic acid
CID 146494137
2,4-dichloro-5-iodopyridine-3-carboxylic acid
CID 10615464
5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine
CID 118238019
5-bromo-4-formyl-2-methylpyridine-3-carboxylic acid
CID 134259081
4-chloro-5-hydroxy-3-methylpyridine-2-carboxylic acid
CID 174902875
methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate
CID 67975081

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid?
The IUPAC name of 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid (CID 175334729) is 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid.
What is the SMILES notation for 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid?
The canonical SMILES for 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid is Cc1c(Br)cnc(Cl)c1C(=O)O.O=NO.
What is the InChIKey of 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid?
The InChIKey is KIVGNVFHDMMDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO2.HNO2/c1-3-4(8)2-10-6(9)5(3)7(11)12;2-1-3/h2H,1H3,(H,11,12);(H,2,3).
What are the key properties of 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid?
5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid has a molecular weight of 297.49 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid is sourced from PubChem (CID 175334729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).