3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid

C14H12F2N2O2 — CID 105382002

IUPAC3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H12F2N2O2/c1-18(8-9-2-4-10(15)5-3-9)13-12(16)11(14(19)20)6-7-17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyMWXLNVHQXVAQBI-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.69
Rot. Bonds4

About 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid

3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 105382002) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
PubChem CID105382002
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H12F2N2O2/c1-18(8-9-2-4-10(15)5-3-9)13-12(16)11(14(19)20)6-7-17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyMWXLNVHQXVAQBI-UHFFFAOYSA-N
XLogP2.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382004
3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid
CID 105382506
3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 171702410
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919316
2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381871
4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
CID 60977524
3-[(3-fluorophenyl)methyl-methylamino]pyridazine-4-carboxylic acid
CID 80517596
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61373552
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382343
3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
CID 62684888

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid (CID 105382002) is 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid is CN(Cc1ccc(F)cc1)c1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is MWXLNVHQXVAQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-18(8-9-2-4-10(15)5-3-9)13-12(16)11(14(19)20)6-7-17-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).