3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile

C8H7ClN2O — CID 155138707

IUPAC3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
SMILESCOc1c(C)cnc(C#N)c1Cl
InChIInChI=1S/C8H7ClN2O/c1-5-4-11-6(3-10)7(9)8(5)12-2/h4H,1-2H3
InChIKeyYPLNDDXRBSECPP-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.92
Rot. Bonds1

About 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile

3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile (PubChem CID 155138707) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
PubChem CID155138707
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
SMILESCOc1c(C)cnc(C#N)c1Cl
InChIInChI=1S/C8H7ClN2O/c1-5-4-11-6(3-10)7(9)8(5)12-2/h4H,1-2H3
InChIKeyYPLNDDXRBSECPP-UHFFFAOYSA-N
XLogP1.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile?
The IUPAC name of 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile (CID 155138707) is 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile is COc1c(C)cnc(C#N)c1Cl.
What is the InChIKey of 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile?
The InChIKey is YPLNDDXRBSECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-5-4-11-6(3-10)7(9)8(5)12-2/h4H,1-2H3.
What are the key properties of 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile?
3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile has a molecular weight of 182.61 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 155138707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).