2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide

C13H9Cl2FN2O2 — CID 850419

IUPAC2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c1
InChIInChI=1S/C13H9Cl2FN2O2/c1-20-8-4-2-3-7(5-8)17-13(19)9-6-10(16)12(15)18-11(9)14/h2-6H,1H3,(H,17,19)
InChIKeyZYIXVXACLHQIIK-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.79
Rot. Bonds3

About 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide

2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 850419) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID850419
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c1
InChIInChI=1S/C13H9Cl2FN2O2/c1-20-8-4-2-3-7(5-8)17-13(19)9-6-10(16)12(15)18-11(9)14/h2-6H,1H3,(H,17,19)
InChIKeyZYIXVXACLHQIIK-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 850419) is 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c1.
What is the InChIKey of 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is ZYIXVXACLHQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c1-20-8-4-2-3-7(5-8)17-13(19)9-6-10(16)12(15)18-11(9)14/h2-6H,1H3,(H,17,19).
What are the key properties of 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide?
2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 315.13 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 850419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).