2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile

C14H10Cl2N2O — CID 169095719

IUPAC2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile
SMILESN#CCc1cccc(OCc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H10Cl2N2O/c15-11-6-10(7-12(16)8-11)9-19-14-3-1-2-13(18-14)4-5-17/h1-3,6-8H,4,9H2
InChIKeySBRCZCHYWGBOOE-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.03
Rot. Bonds4

About 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile

2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile (PubChem CID 169095719) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile
PubChem CID169095719
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile
SMILESN#CCc1cccc(OCc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H10Cl2N2O/c15-11-6-10(7-12(16)8-11)9-19-14-3-1-2-13(18-14)4-5-17/h1-3,6-8H,4,9H2
InChIKeySBRCZCHYWGBOOE-UHFFFAOYSA-N
XLogP4.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-Chloropyridin-2-yl)-2-(2-methoxyphenyl)acetonitrile
CID 3713668
2-(3-Chlorobenzyloxy)-6-chloroisonicotinonitrile
CID 44409846
2-(3-Chloro-benzyloxy)-6-methyl-isonicotinonitrile
CID 15949470
4-(4-Chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 678564
4,6-Dimethyl-2-phenoxy-nicotinonitrile
CID 946983
6-[(3-Chlorophenyl)methoxy]-4-methylpyridine-2-carbonitrile
CID 73755216
2-(Benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinonitrile
CID 10194245
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-isopropoxynicotinonitrile
CID 10287827
5-(4-Chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 10289123
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-((tetrahydrofuran-3-yl)methoxy)nicotinonitrile
CID 10310644
6-[(4,6-Diphenyl-2-pyridyl)oxy]hexanonitrile
CID 10337448
2-(3,4-Difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)nicotinonitrile
CID 11202865

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile (CID 169095719) is 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile is N#CCc1cccc(OCc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile?
The InChIKey is SBRCZCHYWGBOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-11-6-10(7-12(16)8-11)9-19-14-3-1-2-13(18-14)4-5-17/h1-3,6-8H,4,9H2.
What are the key properties of 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile?
2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile has a molecular weight of 293.15 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3,5-dichlorophenyl)methoxy]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 169095719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).