3-amino-6-bromo-5-methylpyridine-2-carboxylic acid

C7H7BrN2O2 — CID 105488793

IUPAC3-amino-6-bromo-5-methylpyridine-2-carboxylic acid
SMILESCc1cc(N)c(C(=O)O)nc1Br
InChIInChI=1S/C7H7BrN2O2/c1-3-2-4(9)5(7(11)12)10-6(3)8/h2H,9H2,1H3,(H,11,12)
InChIKeyFPXCHBZZFOUPKG-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.43
Rot. Bonds1

About 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid

3-amino-6-bromo-5-methylpyridine-2-carboxylic acid (PubChem CID 105488793) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-bromo-5-methylpyridine-2-carboxylic acid
PubChem CID105488793
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name3-amino-6-bromo-5-methylpyridine-2-carboxylic acid
SMILESCc1cc(N)c(C(=O)O)nc1Br
InChIInChI=1S/C7H7BrN2O2/c1-3-2-4(9)5(7(11)12)10-6(3)8/h2H,9H2,1H3,(H,11,12)
InChIKeyFPXCHBZZFOUPKG-UHFFFAOYSA-N
XLogP1.43
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bromo-3,5-dimethyl-2-pyridinyl)ethanone
CID 84820064
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
5-amino-6-bromo-3-methylpyrazine-2-carboxylic acid
CID 130116172
3,6-dibromo-4-methylpyridine-2-carboxylic acid
CID 104546717
3-amino-6-bromo-5-methylpyridine-2-carbonitrile
CID 131305995
methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
CID 135240587
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134658740
ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate
CID 166990226
3-amino-4-bromo-5-methylbenzoic acid
CID 84693225
3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid
CID 156743414
2-bromo-5-methylpyrimidine-4-carboxylic acid
CID 151168996

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid (CID 105488793) is 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid is Cc1cc(N)c(C(=O)O)nc1Br.
What is the InChIKey of 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid?
The InChIKey is FPXCHBZZFOUPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-3-2-4(9)5(7(11)12)10-6(3)8/h2H,9H2,1H3,(H,11,12).
What are the key properties of 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid?
3-amino-6-bromo-5-methylpyridine-2-carboxylic acid has a molecular weight of 231.05 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 105488793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).