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

C11H9FN4O2 — CID 114111227

IUPAC5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCc1ccncn1
InChIInChI=1S/C11H9FN4O2/c12-7-3-9(11(17)18)10(14-4-7)15-5-8-1-2-13-6-16-8/h1-4,6H,5H2,(H,14,15)(H,17,18)
InChIKeyQIKGYYCBBXWRPR-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.32
Rot. Bonds4

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

5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 114111227) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID114111227
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC Name5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCc1ccncn1
InChIInChI=1S/C11H9FN4O2/c12-7-3-9(11(17)18)10(14-4-7)15-5-8-1-2-13-6-16-8/h1-4,6H,5H2,(H,14,15)(H,17,18)
InChIKeyQIKGYYCBBXWRPR-UHFFFAOYSA-N
XLogP1.32
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(1,2-oxazol-5-ylmethylamino)pyridine-3-carboxylic acid
CID 106419255
4-(pyrimidin-4-ylmethylamino)benzoic acid
CID 55210671
2-amino-5-fluoro-N-(pyrimidin-4-ylmethyl)benzamide
CID 114110306
5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62000351
5-fluoro-2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-3-carboxylic acid
CID 114187784
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 106278118
2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline
CID 62759682
methyl 2,4-difluoro-5-(pyrimidin-4-ylmethylamino)benzoate
CID 62747471
5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 106305372
5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111474
N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907587
5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
CID 106435593

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid (CID 114111227) is 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1NCc1ccncn1.
What is the InChIKey of 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is QIKGYYCBBXWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c12-7-3-9(11(17)18)10(14-4-7)15-5-8-1-2-13-6-16-8/h1-4,6H,5H2,(H,14,15)(H,17,18).
What are the key properties of 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid?
5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 248.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114111227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).