3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid

C10H9FN4O2 — CID 105382475

IUPAC3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
SMILESCn1ccc(Nc2nccc(C(=O)O)c2F)n1
InChIInChI=1S/C10H9FN4O2/c1-15-5-3-7(14-15)13-9-8(11)6(10(16)17)2-4-12-9/h2-5H,1H3,(H,16,17)(H,12,13,14)
InChIKeyRWLPJHAVJMPKMB-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.40
Rot. Bonds3

About 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 105382475) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID105382475
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
SMILESCn1ccc(Nc2nccc(C(=O)O)c2F)n1
InChIInChI=1S/C10H9FN4O2/c1-15-5-3-7(14-15)13-9-8(11)6(10(16)17)2-4-12-9/h2-5H,1H3,(H,16,17)(H,12,13,14)
InChIKeyRWLPJHAVJMPKMB-UHFFFAOYSA-N
XLogP1.40
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid
CID 107588904
3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 105382529
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
CID 79778692
2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382643
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382066
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
2-fluoro-3-(1-methylpyrazol-3-yl)benzoic acid
CID 107957601
5-amino-2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide
CID 79770477
2-[4-(cyanomethyl)anilino]-3-fluoropyridine-4-carboxylic acid
CID 105382235
2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 51335853
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382099

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid (CID 105382475) is 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid is Cn1ccc(Nc2nccc(C(=O)O)c2F)n1.
What is the InChIKey of 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is RWLPJHAVJMPKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-15-5-3-7(14-15)13-9-8(11)6(10(16)17)2-4-12-9/h2-5H,1H3,(H,16,17)(H,12,13,14).
What are the key properties of 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 236.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).