2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide

C13H10ClF2N3O — CID 63373106

IUPAC2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2cc(F)ccc2F)cc(Cl)n1
InChIInChI=1S/C13H10ClF2N3O/c14-11-4-7(5-12(17)19-11)13(20)18-6-8-3-9(15)1-2-10(8)16/h1-5H,6H2,(H2,17,19)(H,18,20)
InChIKeyNKRCCOGNTSTKDA-UHFFFAOYSA-N
MW297.69 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 63373106) has the molecular formula C13H10ClF2N3O and a molecular weight of 297.69 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID63373106
Molecular FormulaC13H10ClF2N3O
Molecular Weight297.69 g/mol
Exact Mass297.05
IUPAC Name2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2cc(F)ccc2F)cc(Cl)n1
InChIInChI=1S/C13H10ClF2N3O/c14-11-4-7(5-12(17)19-11)13(20)18-6-8-3-9(15)1-2-10(8)16/h1-5H,6H2,(H2,17,19)(H,18,20)
InChIKeyNKRCCOGNTSTKDA-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide (CID 63373106) is 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCc2cc(F)ccc2F)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is NKRCCOGNTSTKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O/c14-11-4-7(5-12(17)19-11)13(20)18-6-8-3-9(15)1-2-10(8)16/h1-5H,6H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 297.69 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 63373106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).