2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide

C7H8Br2N2O2 — CID 57358282

IUPAC2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide
SMILESBr.Cc1c(Br)cnc(N)c1C(=O)O
InChIInChI=1S/C7H7BrN2O2.BrH/c1-3-4(8)2-10-6(9)5(3)7(11)12;/h2H,1H3,(H2,9,10)(H,11,12);1H
InChIKeyNTQWKWNQVCRGDP-UHFFFAOYSA-N
MW311.96 g/mol
LogP2.01
Rot. Bonds1

About 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide

2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide (PubChem CID 57358282) has the molecular formula C7H8Br2N2O2 and a molecular weight of 311.96 g/mol. Its IUPAC name is 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide
PubChem CID57358282
Molecular FormulaC7H8Br2N2O2
Molecular Weight311.96 g/mol
Exact Mass309.90
IUPAC Name2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide
SMILESBr.Cc1c(Br)cnc(N)c1C(=O)O
InChIInChI=1S/C7H7BrN2O2.BrH/c1-3-4(8)2-10-6(9)5(3)7(11)12;/h2H,1H3,(H2,9,10)(H,11,12);1H
InChIKeyNTQWKWNQVCRGDP-UHFFFAOYSA-N
XLogP2.01
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.96
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide?
The IUPAC name of 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide (CID 57358282) is 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide.
What is the SMILES notation for 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide?
The canonical SMILES for 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide is Br.Cc1c(Br)cnc(N)c1C(=O)O.
What is the InChIKey of 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide?
The InChIKey is NTQWKWNQVCRGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2.BrH/c1-3-4(8)2-10-6(9)5(3)7(11)12;/h2H,1H3,(H2,9,10)(H,11,12);1H.
What are the key properties of 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide?
2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide has a molecular weight of 311.96 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide is sourced from PubChem (CID 57358282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).