2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide

C13H8Cl2F2N2O2 — CID 26901535

IUPAC2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccnc1Cl
InChIInChI=1S/C13H8Cl2F2N2O2/c14-9-6-7(3-4-10(9)21-13(16)17)19-12(20)8-2-1-5-18-11(8)15/h1-6,13H,(H,19,20)
InChIKeyHWZHNZZNERIOJO-UHFFFAOYSA-N
MW333.12 g/mol
LogP4.24
Rot. Bonds4

About 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide

2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 26901535) has the molecular formula C13H8Cl2F2N2O2 and a molecular weight of 333.12 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID26901535
Molecular FormulaC13H8Cl2F2N2O2
Molecular Weight333.12 g/mol
Exact Mass331.99
IUPAC Name2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccnc1Cl
InChIInChI=1S/C13H8Cl2F2N2O2/c14-9-6-7(3-4-10(9)21-13(16)17)19-12(20)8-2-1-5-18-11(8)15/h1-6,13H,(H,19,20)
InChIKeyHWZHNZZNERIOJO-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.12
LogP ≤ 54.24
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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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414567
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 37040206
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39584681
2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
CID 60704758
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide (CID 26901535) is 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is HWZHNZZNERIOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O2/c14-9-6-7(3-4-10(9)21-13(16)17)19-12(20)8-2-1-5-18-11(8)15/h1-6,13H,(H,19,20).
What are the key properties of 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide?
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 333.12 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 26901535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).