2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide

C14H11ClF2N2O2 — CID 86257016

IUPAC2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)F)c1cccnc1Cl
InChIInChI=1S/C14H11ClF2N2O2/c15-13-9(4-3-7-18-13)14(20)19-10-5-1-2-6-11(10)21-8-12(16)17/h1-7,12H,8H2,(H,19,20)
InChIKeyUVALPVALSZPIOJ-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.63
Rot. Bonds5

About 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide

2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 86257016) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID86257016
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)F)c1cccnc1Cl
InChIInChI=1S/C14H11ClF2N2O2/c15-13-9(4-3-7-18-13)14(20)19-10-5-1-2-6-11(10)21-8-12(16)17/h1-7,12H,8H2,(H,19,20)
InChIKeyUVALPVALSZPIOJ-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.63
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

2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide
CID 86612636
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide (CID 86257016) is 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1OCC(F)F)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is UVALPVALSZPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-13-9(4-3-7-18-13)14(20)19-10-5-1-2-6-11(10)21-8-12(16)17/h1-7,12H,8H2,(H,19,20).
What are the key properties of 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide?
2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 312.70 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86257016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).