3-(2-cyclopropyl-3-pyridinyl)benzonitrile

C15H12N2 — CID 22317919

IUPAC3-(2-cyclopropyl-3-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2cccnc2C2CC2)c1
InChIInChI=1S/C15H12N2/c16-10-11-3-1-4-13(9-11)14-5-2-8-17-15(14)12-6-7-12/h1-5,8-9,12H,6-7H2
InChIKeyWRWYUAYQYDGFHD-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.50
Rot. Bonds2

About 3-(2-cyclopropyl-3-pyridinyl)benzonitrile

3-(2-cyclopropyl-3-pyridinyl)benzonitrile (PubChem CID 22317919) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-(2-cyclopropyl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-(2-cyclopropyl-3-pyridinyl)benzonitrile
PubChem CID22317919
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name3-(2-cyclopropyl-3-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2cccnc2C2CC2)c1
InChIInChI=1S/C15H12N2/c16-10-11-3-1-4-13(9-11)14-5-2-8-17-15(14)12-6-7-12/h1-5,8-9,12H,6-7H2
InChIKeyWRWYUAYQYDGFHD-UHFFFAOYSA-N
XLogP3.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-quinolin-8-ylbenzonitrile
CID 4189045
2-cyclopropylpyridine-3-carbonitrile
CID 57440906
3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile
CID 22317642
3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile
CID 147128888
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile
CID 102772599
2-cyclopentyl-3-(3,5-difluorophenyl)pyridine
CID 141426995
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile
CID 139495116
4-[3-(3-cyanophenyl)-2-pyridinyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonitrile
CID 151311241
3-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
CID 122400853
3-[2-pyridin-4-yl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidin-5-yl]benzonitrile
CID 90058374
3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
CID 18754834

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-3-pyridinyl)benzonitrile?
The IUPAC name of 3-(2-cyclopropyl-3-pyridinyl)benzonitrile (CID 22317919) is 3-(2-cyclopropyl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 3-(2-cyclopropyl-3-pyridinyl)benzonitrile?
The canonical SMILES for 3-(2-cyclopropyl-3-pyridinyl)benzonitrile is N#Cc1cccc(-c2cccnc2C2CC2)c1.
What is the InChIKey of 3-(2-cyclopropyl-3-pyridinyl)benzonitrile?
The InChIKey is WRWYUAYQYDGFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c16-10-11-3-1-4-13(9-11)14-5-2-8-17-15(14)12-6-7-12/h1-5,8-9,12H,6-7H2.
What are the key properties of 3-(2-cyclopropyl-3-pyridinyl)benzonitrile?
3-(2-cyclopropyl-3-pyridinyl)benzonitrile has a molecular weight of 220.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 22317919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).