3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid

C12H10FN3O2 — CID 105382529

IUPAC3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
SMILESCc1ccc(Nc2nccc(C(=O)O)c2F)cn1
InChIInChI=1S/C12H10FN3O2/c1-7-2-3-8(6-15-7)16-11-10(13)9(12(17)18)4-5-14-11/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyRABIWHGZRAWYMU-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.37
Rot. Bonds3

About 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid (PubChem CID 105382529) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
PubChem CID105382529
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
SMILESCc1ccc(Nc2nccc(C(=O)O)c2F)cn1
InChIInChI=1S/C12H10FN3O2/c1-7-2-3-8(6-15-7)16-11-10(13)9(12(17)18)4-5-14-11/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyRABIWHGZRAWYMU-UHFFFAOYSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid
CID 107588904
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382643
2-[4-(cyanomethyl)anilino]-3-fluoropyridine-4-carboxylic acid
CID 105382235
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382099
3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
CID 105382475
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
N-(4-fluorophenyl)-6-methylpyridin-3-amine
CID 141340358
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
3-(4-fluoroanilino)pyrazine-2-carboxylic acid
CID 117102487
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid (CID 105382529) is 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid is Cc1ccc(Nc2nccc(C(=O)O)c2F)cn1.
What is the InChIKey of 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid?
The InChIKey is RABIWHGZRAWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-7-2-3-8(6-15-7)16-11-10(13)9(12(17)18)4-5-14-11/h2-6H,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).