4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid

C13H10F2N2O2 — CID 81244539

IUPAC4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2/c14-9-2-1-8(11(15)5-9)6-17-12-3-4-16-7-10(12)13(18)19/h1-5,7H,6H2,(H,16,17)(H,18,19)
InChIKeyMQBLDOZEDUMTJJ-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.67
Rot. Bonds4

About 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid

4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81244539) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID81244539
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2/c14-9-2-1-8(11(15)5-9)6-17-12-3-4-16-7-10(12)13(18)19/h1-5,7H,6H2,(H,16,17)(H,18,19)
InChIKeyMQBLDOZEDUMTJJ-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061923
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244388
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
CID 103248413
4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81244868

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid (CID 81244539) is 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid is O=C(O)c1cnccc1NCc1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is MQBLDOZEDUMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-9-2-1-8(11(15)5-9)6-17-12-3-4-16-7-10(12)13(18)19/h1-5,7H,6H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid?
4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 264.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).