1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile

C10H10N2 — CID 116842082

IUPAC1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile
SMILESCC1(C#N)CC1c1cccnc1
InChIInChI=1S/C10H10N2/c1-10(7-11)5-9(10)8-3-2-4-12-6-8/h2-4,6,9H,5H2,1H3
InChIKeyWBJRWAUIIDFFQQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.10
Rot. Bonds1

About 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile

1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile (PubChem CID 116842082) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile
PubChem CID116842082
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile
SMILESCC1(C#N)CC1c1cccnc1
InChIInChI=1S/C10H10N2/c1-10(7-11)5-9(10)8-3-2-4-12-6-8/h2-4,6,9H,5H2,1H3
InChIKeyWBJRWAUIIDFFQQ-UHFFFAOYSA-N
XLogP2.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile
CID 116841997
(1R,3R,4R,7R)-3,7,8-trimethyl-6,9-dioxo-4-pyridin-3-yl-5,8-diazatricyclo[5.2.1.01,5]decane-3-carbonitrile
CID 118440154
(1S,3S,4S,7S)-3,7,8-trimethyl-6,9-dioxo-4-pyridin-3-yl-5,8-diazatricyclo[5.2.1.01,5]decane-3-carbonitrile
CID 126551536
1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile
CID 142227675
4,4-dimethyl-3-pyridin-3-ylcyclohexan-1-one
CID 165497054
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3,3-dimethyl-1-pyridin-3-ylcyclobutane-1-carbonitrile
CID 80522315
(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile
CID 21124107
(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
CID 67821180
3-(1,3,3-trimethylpyrrolidin-2-yl)pyridine
CID 13292849
3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile
CID 155266174
2-pyridin-3-ylcyclohexane-1-carbonitrile
CID 82241004

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile?
The IUPAC name of 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile (CID 116842082) is 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile is CC1(C#N)CC1c1cccnc1.
What is the InChIKey of 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile?
The InChIKey is WBJRWAUIIDFFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-10(7-11)5-9(10)8-3-2-4-12-6-8/h2-4,6,9H,5H2,1H3.
What are the key properties of 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile?
1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile has a molecular weight of 158.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116842082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).