2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile

C8H7ClN2O — CID 18675863

IUPAC2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1c(Cl)ccnc1CC#N
InChIInChI=1S/C8H7ClN2O/c1-12-8-6(9)3-5-11-7(8)2-4-10/h3,5H,2H2,1H3
InChIKeyRRDRPVRKPDXOAZ-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile

2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile (PubChem CID 18675863) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile
PubChem CID18675863
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1c(Cl)ccnc1CC#N
InChIInChI=1S/C8H7ClN2O/c1-12-8-6(9)3-5-11-7(8)2-4-10/h3,5H,2H2,1H3
InChIKeyRRDRPVRKPDXOAZ-UHFFFAOYSA-N
XLogP1.81
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile (CID 18675863) is 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile is COc1c(Cl)ccnc1CC#N.
What is the InChIKey of 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile?
The InChIKey is RRDRPVRKPDXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-12-8-6(9)3-5-11-7(8)2-4-10/h3,5H,2H2,1H3.
What are the key properties of 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile?
2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile has a molecular weight of 182.61 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxy-2-pyridinyl)acetonitrile is sourced from PubChem (CID 18675863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).