2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile

C8H5ClF2N2O — CID 119022905

IUPAC2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(Cl)c(OC(F)F)c1
InChIInChI=1S/C8H5ClF2N2O/c9-7-6(14-8(10)11)3-5(1-2-12)4-13-7/h3-4,8H,1H2
InChIKeyLSTZTAABXFEGQK-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.40
Rot. Bonds3

About 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile

2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 119022905) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID119022905
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(Cl)c(OC(F)F)c1
InChIInChI=1S/C8H5ClF2N2O/c9-7-6(14-8(10)11)3-5(1-2-12)4-13-7/h3-4,8H,1H2
InChIKeyLSTZTAABXFEGQK-UHFFFAOYSA-N
XLogP2.40
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
CID 119004607
2-[3,4-dibromo-5-(difluoromethoxy)phenyl]acetonitrile
CID 121227965
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
CID 4962241
2-[4-(difluoromethoxy)-3,5-difluorophenyl]acetonitrile
CID 18627186
2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile
CID 118998262
2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130098006
2-[3,5-dibromo-4-(difluoromethoxy)phenyl]acetonitrile
CID 121227967
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
2-[5-amino-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094439
2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094110
2-(5-fluoro-3-pyridinyl)acetonitrile
CID 53403707
2-[2-(difluoromethoxy)-5-fluorophenyl]acetonitrile
CID 118808935

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile (CID 119022905) is 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile is N#CCc1cnc(Cl)c(OC(F)F)c1.
What is the InChIKey of 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is LSTZTAABXFEGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-7-6(14-8(10)11)3-5(1-2-12)4-13-7/h3-4,8H,1H2.
What are the key properties of 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile?
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile has a molecular weight of 218.59 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119022905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).