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

C13H8ClF3N2O2 — CID 61040886

IUPAC2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1ccnc(Cl)c1
InChIInChI=1S/C13H8ClF3N2O2/c14-11-5-7(3-4-18-11)12(20)19-8-1-2-10(9(15)6-8)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyWYEITHSGTRBZMW-UHFFFAOYSA-N
MW316.67 g/mol
LogP3.73
Rot. Bonds4

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

2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide (PubChem CID 61040886) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
PubChem CID61040886
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC Name2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1ccnc(Cl)c1
InChIInChI=1S/C13H8ClF3N2O2/c14-11-5-7(3-4-18-11)12(20)19-8-1-2-10(9(15)6-8)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyWYEITHSGTRBZMW-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 53.73
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

6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
CID 106551160
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
CID 47267877
2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 60574786
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide
CID 171463789
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 64525284
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide (CID 61040886) is 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide is O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide?
The InChIKey is WYEITHSGTRBZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-11-5-7(3-4-18-11)12(20)19-8-1-2-10(9(15)6-8)21-13(16)17/h1-6,13H,(H,19,20).
What are the key properties of 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide?
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide has a molecular weight of 316.67 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide is sourced from PubChem (CID 61040886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).