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

C14H10Cl2N2O — CID 133094539

IUPAC2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1ncc(-c2cc(Cl)ccc2Cl)cc1CC#N
InChIInChI=1S/C14H10Cl2N2O/c1-19-14-9(4-5-17)6-10(8-18-14)12-7-11(15)2-3-13(12)16/h2-3,6-8H,4H2,1H3
InChIKeyVEIYWHSZMNGICI-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.13
Rot. Bonds3

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

2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile (PubChem CID 133094539) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
PubChem CID133094539
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1ncc(-c2cc(Cl)ccc2Cl)cc1CC#N
InChIInChI=1S/C14H10Cl2N2O/c1-19-14-9(4-5-17)6-10(8-18-14)12-7-11(15)2-3-13(12)16/h2-3,6-8H,4H2,1H3
InChIKeyVEIYWHSZMNGICI-UHFFFAOYSA-N
XLogP4.13
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131869741
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094237
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235
3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133095168
2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094822
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
5-chloro-3-(2,4-dichlorophenyl)-2-methoxypyridine
CID 133088213
2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094978
3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087531

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile (CID 133094539) is 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile is COc1ncc(-c2cc(Cl)ccc2Cl)cc1CC#N.
What is the InChIKey of 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile?
The InChIKey is VEIYWHSZMNGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-19-14-9(4-5-17)6-10(8-18-14)12-7-11(15)2-3-13(12)16/h2-3,6-8H,4H2,1H3.
What are the key properties of 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile?
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile has a molecular weight of 293.15 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).