3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide

C13H9Cl3N2O2 — CID 2567037

IUPAC3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-3-7(5-8)18-13(19)12-11(16)10(15)9(14)6-17-12/h2-6H,1H3,(H,18,19)
InChIKeyKMNPWYQHAWRFBO-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.30
Rot. Bonds3

About 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide

3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 2567037) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide
PubChem CID2567037
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-3-7(5-8)18-13(19)12-11(16)10(15)9(14)6-17-12/h2-6H,1H3,(H,18,19)
InChIKeyKMNPWYQHAWRFBO-UHFFFAOYSA-N
XLogP4.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide (CID 2567037) is 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide is COc1cccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is KMNPWYQHAWRFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-3-7(5-8)18-13(19)12-11(16)10(15)9(14)6-17-12/h2-6H,1H3,(H,18,19).
What are the key properties of 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 331.59 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(3-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 2567037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).