2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile

C13H9FN2 — CID 131869822

IUPAC2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cncc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H9FN2/c14-13-3-1-2-11(7-13)12-6-10(4-5-15)8-16-9-12/h1-3,6-9H,4H2
InChIKeyHHQUTNSYPWQRQM-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.95
Rot. Bonds2

About 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile

2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 131869822) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
PubChem CID131869822
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cncc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H9FN2/c14-13-3-1-2-11(7-13)12-6-10(4-5-15)8-16-9-12/h1-3,6-9H,4H2
InChIKeyHHQUTNSYPWQRQM-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

3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
2-(5-fluoro-3-pyridinyl)acetonitrile
CID 53403707
2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131869874
2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134630126
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile
CID 46313415
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
2-[6-chloro-3-(3-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870588
3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542784

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile (CID 131869822) is 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile is N#CCc1cncc(-c2cccc(F)c2)c1.
What is the InChIKey of 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is HHQUTNSYPWQRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-13-3-1-2-11(7-13)12-6-10(4-5-15)8-16-9-12/h1-3,6-9H,4H2.
What are the key properties of 2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile?
2-[5-(3-fluorophenyl)-3-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-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 131869822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).