2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

C13H11ClFN3O2 — CID 103891873

IUPAC2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C13H11ClFN3O2/c1-20-13-8(3-2-4-16-13)6-18-12(19)10-5-9(15)7-17-11(10)14/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyQAJQSPKBDINOED-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.21
Rot. Bonds4

About 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 103891873) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID103891873
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C13H11ClFN3O2/c1-20-13-8(3-2-4-16-13)6-18-12(19)10-5-9(15)7-17-11(10)14/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyQAJQSPKBDINOED-UHFFFAOYSA-N
XLogP2.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide 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

2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91350937
2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891624
4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide
CID 71929536
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 60616344
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
N-[(2-cyanophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547696
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 103891873) is 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is COc1ncccc1CNC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is QAJQSPKBDINOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c1-20-13-8(3-2-4-16-13)6-18-12(19)10-5-9(15)7-17-11(10)14/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 295.70 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103891873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).