5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid

C10H9BrN4O2 — CID 167950874

IUPAC5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid
SMILESCn1cc(Nc2ncc(C(=O)O)cc2Br)cn1
InChIInChI=1S/C10H9BrN4O2/c1-15-5-7(4-13-15)14-9-8(11)2-6(3-12-9)10(16)17/h2-5H,1H3,(H,12,14)(H,16,17)
InChIKeyLSFIRJRRTBRINX-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.02
Rot. Bonds3

About 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid

5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 167950874) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID167950874
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid
SMILESCn1cc(Nc2ncc(C(=O)O)cc2Br)cn1
InChIInChI=1S/C10H9BrN4O2/c1-15-5-7(4-13-15)14-9-8(11)2-6(3-12-9)10(16)17/h2-5H,1H3,(H,12,14)(H,16,17)
InChIKeyLSFIRJRRTBRINX-UHFFFAOYSA-N
XLogP2.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-[(1-methylpyrazol-4-yl)amino]benzoic acid
CID 82801089
5-bromo-3-chloro-N-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 103582386
5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 84604439
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
3-amino-4-[(1-methylpyrazol-4-yl)amino]benzoic acid
CID 54888093
5-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 62241771
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 114919233
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438375
5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid
CID 84611034
1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrrole-3-carboxylic acid
CID 151572944
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide
CID 32606056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid (CID 167950874) is 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid is Cn1cc(Nc2ncc(C(=O)O)cc2Br)cn1.
What is the InChIKey of 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is LSFIRJRRTBRINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c1-15-5-7(4-13-15)14-9-8(11)2-6(3-12-9)10(16)17/h2-5H,1H3,(H,12,14)(H,16,17).
What are the key properties of 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid?
5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 297.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 167950874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).