6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid

C14H12F2N2O2 — CID 106904564

IUPAC6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H12F2N2O2/c15-11-5-4-9(6-12(11)16)7-17-8-10-2-1-3-13(18-10)14(19)20/h1-6,17H,7-8H2,(H,19,20)
InChIKeyWDVIVPXLBSKJGZ-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.35
Rot. Bonds5

About 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid

6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904564) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904564
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H12F2N2O2/c15-11-5-4-9(6-12(11)16)7-17-8-10-2-1-3-13(18-10)14(19)20/h1-6,17H,7-8H2,(H,19,20)
InChIKeyWDVIVPXLBSKJGZ-UHFFFAOYSA-N
XLogP2.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904521
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904658
6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
CID 114169680
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106905026
6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904632

Frequently Asked Questions

What is the IUPAC name of 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid (CID 106904564) is 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is WDVIVPXLBSKJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-11-5-4-9(6-12(11)16)7-17-8-10-2-1-3-13(18-10)14(19)20/h1-6,17H,7-8H2,(H,19,20).
What are the key properties of 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).