3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid

C10H7FN4O2 — CID 107588904

IUPAC3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2cncnc2)c1F
InChIInChI=1S/C10H7FN4O2/c11-8-7(10(16)17)1-2-14-9(8)15-6-3-12-5-13-4-6/h1-5H,(H,14,15)(H,16,17)
InChIKeyLTYOEFVNACEPNG-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.45
Rot. Bonds3

About 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid

3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid (PubChem CID 107588904) has the molecular formula C10H7FN4O2 and a molecular weight of 234.19 g/mol. Its IUPAC name is 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid
PubChem CID107588904
Molecular FormulaC10H7FN4O2
Molecular Weight234.19 g/mol
Exact Mass234.06
IUPAC Name3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2cncnc2)c1F
InChIInChI=1S/C10H7FN4O2/c11-8-7(10(16)17)1-2-14-9(8)15-6-3-12-5-13-4-6/h1-5H,(H,14,15)(H,16,17)
InChIKeyLTYOEFVNACEPNG-UHFFFAOYSA-N
XLogP1.45
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382661
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382066
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid (CID 107588904) is 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Nc2cncnc2)c1F.
What is the InChIKey of 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid?
The InChIKey is LTYOEFVNACEPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2/c11-8-7(10(16)17)1-2-14-9(8)15-6-3-12-5-13-4-6/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid has a molecular weight of 234.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107588904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).