2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile

C13H7ClF2N2O — CID 88919533

IUPAC2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cc(OCc2cc(F)cc(F)c2)cnc1Cl
InChIInChI=1S/C13H7ClF2N2O/c14-13-9(5-17)3-12(6-18-13)19-7-8-1-10(15)4-11(16)2-8/h1-4,6H,7H2
InChIKeyPLERTPJDYXYVTI-UHFFFAOYSA-N
MW280.66 g/mol
LogP3.46
Rot. Bonds3

About 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile

2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile (PubChem CID 88919533) has the molecular formula C13H7ClF2N2O and a molecular weight of 280.66 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile
PubChem CID88919533
Molecular FormulaC13H7ClF2N2O
Molecular Weight280.66 g/mol
Exact Mass280.02
IUPAC Name2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cc(OCc2cc(F)cc(F)c2)cnc1Cl
InChIInChI=1S/C13H7ClF2N2O/c14-13-9(5-17)3-12(6-18-13)19-7-8-1-10(15)4-11(16)2-8/h1-4,6H,7H2
InChIKeyPLERTPJDYXYVTI-UHFFFAOYSA-N
XLogP3.46
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 53.46
H-Bond Donors ≤ 50
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-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile (CID 88919533) is 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile is N#Cc1cc(OCc2cc(F)cc(F)c2)cnc1Cl.
What is the InChIKey of 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile?
The InChIKey is PLERTPJDYXYVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O/c14-13-9(5-17)3-12(6-18-13)19-7-8-1-10(15)4-11(16)2-8/h1-4,6H,7H2.
What are the key properties of 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile?
2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile has a molecular weight of 280.66 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,5-difluorophenyl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 88919533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).