2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid

C14H12F2N2O2 — CID 79838578

IUPAC2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
SMILESCc1cccc(CNc2ccc(C(=O)O)c(F)c2F)n1
InChIInChI=1S/C14H12F2N2O2/c1-8-3-2-4-9(18-8)7-17-11-6-5-10(14(19)20)12(15)13(11)16/h2-6,17H,7H2,1H3,(H,19,20)
InChIKeyHOFUADYSHQCQFE-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.98
Rot. Bonds4

About 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid

2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid (PubChem CID 79838578) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
PubChem CID79838578
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
SMILESCc1cccc(CNc2ccc(C(=O)O)c(F)c2F)n1
InChIInChI=1S/C14H12F2N2O2/c1-8-3-2-4-9(18-8)7-17-11-6-5-10(14(19)20)12(15)13(11)16/h2-6,17H,7H2,1H3,(H,19,20)
InChIKeyHOFUADYSHQCQFE-UHFFFAOYSA-N
XLogP2.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 63081656
3-fluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 62711146
4-[[4-(aminomethyl)phenyl]methylamino]-2,3-difluorobenzoic acid
CID 81093298
4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
CID 83181382
2,3-difluoro-4-[(3-fluorophenyl)methylamino]benzoic acid
CID 79837694
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806
5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114919543
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,3-difluorobenzoic acid
CID 106042688
2,3-difluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid
CID 79835108
2,3-difluoro-4-(furan-2-ylmethylamino)benzoic acid
CID 79837782
2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419123
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid?
The IUPAC name of 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid (CID 79838578) is 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid?
The canonical SMILES for 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid is Cc1cccc(CNc2ccc(C(=O)O)c(F)c2F)n1.
What is the InChIKey of 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid?
The InChIKey is HOFUADYSHQCQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8-3-2-4-9(18-8)7-17-11-6-5-10(14(19)20)12(15)13(11)16/h2-6,17H,7H2,1H3,(H,19,20).
What are the key properties of 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid?
2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid has a molecular weight of 278.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid is sourced from PubChem (CID 79838578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).