2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile

C13H9FN2 — CID 131870666

IUPAC2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile
SMILESN#CCc1ncc(-c2ccccc2)cc1F
InChIInChI=1S/C13H9FN2/c14-12-8-11(9-16-13(12)6-7-15)10-4-2-1-3-5-10/h1-5,8-9H,6H2
InChIKeyKQDDSTDJWRVDCF-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.95
Rot. Bonds2

About 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile

2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile (PubChem CID 131870666) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile
PubChem CID131870666
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile
SMILESN#CCc1ncc(-c2ccccc2)cc1F
InChIInChI=1S/C13H9FN2/c14-12-8-11(9-16-13(12)6-7-15)10-4-2-1-3-5-10/h1-5,8-9H,6H2
InChIKeyKQDDSTDJWRVDCF-UHFFFAOYSA-N
XLogP2.95
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-phenyl-3-pyridinyl)acetonitrile
CID 131870328
3-fluoro-2-iodo-5-phenylpyridine
CID 130902432
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
5-(2-fluorophenyl)pyrimidine-2-carbonitrile
CID 126755857
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione
CID 166103593
2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870604
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
2-[2,5-bis(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870539
2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 131869822
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile (CID 131870666) is 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile is N#CCc1ncc(-c2ccccc2)cc1F.
What is the InChIKey of 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile?
The InChIKey is KQDDSTDJWRVDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-12-8-11(9-16-13(12)6-7-15)10-4-2-1-3-5-10/h1-5,8-9H,6H2.
What are the key properties of 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile?
2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile has a molecular weight of 212.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-phenyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131870666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).