2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile

C10H9FN2 — CID 165402934

IUPAC2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
SMILESN#CCc1cnc(C2CC2)c(F)c1
InChIInChI=1S/C10H9FN2/c11-9-5-7(3-4-12)6-13-10(9)8-1-2-8/h5-6,8H,1-3H2
InChIKeyDADWSEGMZDIWSA-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.16
Rot. Bonds2

About 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile

2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile (PubChem CID 165402934) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
PubChem CID165402934
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
SMILESN#CCc1cnc(C2CC2)c(F)c1
InChIInChI=1S/C10H9FN2/c11-9-5-7(3-4-12)6-13-10(9)8-1-2-8/h5-6,8H,1-3H2
InChIKeyDADWSEGMZDIWSA-UHFFFAOYSA-N
XLogP2.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
CID 165402933
2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile
CID 138755822
2-(5-fluoro-3-pyridinyl)acetonitrile
CID 53403707
2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile
CID 130786986
2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile
CID 130980972
2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile
CID 76850411
2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130098006
2-[6-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]acetonitrile
CID 118815019
2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134636222
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetonitrile
CID 119022905
2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile
CID 119024596
2-[4-(difluoromethoxy)-3,5-difluorophenyl]acetonitrile
CID 18627186

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile (CID 165402934) is 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile is N#CCc1cnc(C2CC2)c(F)c1.
What is the InChIKey of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile?
The InChIKey is DADWSEGMZDIWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-9-5-7(3-4-12)6-13-10(9)8-1-2-8/h5-6,8H,1-3H2.
What are the key properties of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile?
2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile has a molecular weight of 176.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile is sourced from PubChem (CID 165402934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).