2-methoxy-5-propylpyridine-3-carbonitrile

C10H12N2O — CID 146366204

IUPAC2-methoxy-5-propylpyridine-3-carbonitrile
SMILESCCCc1cnc(OC)c(C#N)c1
InChIInChI=1S/C10H12N2O/c1-3-4-8-5-9(6-11)10(13-2)12-7-8/h5,7H,3-4H2,1-2H3
InChIKeyGHFXBQLNKWAXRO-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.91
Rot. Bonds3

About 2-methoxy-5-propylpyridine-3-carbonitrile

2-methoxy-5-propylpyridine-3-carbonitrile (PubChem CID 146366204) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methoxy-5-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-propylpyridine-3-carbonitrile
PubChem CID146366204
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-methoxy-5-propylpyridine-3-carbonitrile
SMILESCCCc1cnc(OC)c(C#N)c1
InChIInChI=1S/C10H12N2O/c1-3-4-8-5-9(6-11)10(13-2)12-7-8/h5,7H,3-4H2,1-2H3
InChIKeyGHFXBQLNKWAXRO-UHFFFAOYSA-N
XLogP1.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
2-(Benzyloxy)pyridine
CID 295859
2-Methoxy-5-(1-methylpyrrolidin-2-yl)pyridine
CID 10535763
2-Methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile
CID 154644621
4-(4-Fluorophenyl)-2-methoxy-6-pyridin-3-ylpyridine-3-carbonitrile
CID 154644624
4-Tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
CID 154644631
(6-Methoxypyridin-3-yl)methanamine
CID 16227379
Pyridine, 2-methoxy-5-methyl-
CID 3014746
2-Methoxypyridine-3-carbonitrile
CID 252099
6'-Methoxy-2,3'-bipyridyl
CID 10899365

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propylpyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-5-propylpyridine-3-carbonitrile (CID 146366204) is 2-methoxy-5-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-propylpyridine-3-carbonitrile is CCCc1cnc(OC)c(C#N)c1.
What is the InChIKey of 2-methoxy-5-propylpyridine-3-carbonitrile?
The InChIKey is GHFXBQLNKWAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-4-8-5-9(6-11)10(13-2)12-7-8/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-5-propylpyridine-3-carbonitrile?
2-methoxy-5-propylpyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propylpyridine-3-carbonitrile is sourced from PubChem (CID 146366204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).