2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile

C13H8ClFN2 — CID 131869874

IUPAC2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(Cl)cncc1-c1cccc(F)c1
InChIInChI=1S/C13H8ClFN2/c14-13-8-17-7-12(11(13)4-5-16)9-2-1-3-10(15)6-9/h1-3,6-8H,4H2
InChIKeyBKOBVORTZGEFLW-UHFFFAOYSA-N
MW246.67 g/mol
LogP3.61
Rot. Bonds2

About 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile

2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 131869874) has the molecular formula C13H8ClFN2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile
PubChem CID131869874
Molecular FormulaC13H8ClFN2
Molecular Weight246.67 g/mol
Exact Mass246.04
IUPAC Name2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(Cl)cncc1-c1cccc(F)c1
InChIInChI=1S/C13H8ClFN2/c14-13-8-17-7-12(11(13)4-5-16)9-2-1-3-10(15)6-9/h1-3,6-8H,4H2
InChIKeyBKOBVORTZGEFLW-UHFFFAOYSA-N
XLogP3.61
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine
CID 118805205
2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 131869822
2-[6-chloro-3-(3-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870588
3,4-bis(3-fluorophenyl)pyridine
CID 46313677
2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130095597
2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 133094533
5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313539
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile
CID 131117865
2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 131870641
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
2-[2-(3-fluorophenyl)phenoxy]acetonitrile
CID 91290216

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile (CID 131869874) is 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile is N#CCc1c(Cl)cncc1-c1cccc(F)c1.
What is the InChIKey of 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is BKOBVORTZGEFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2/c14-13-8-17-7-12(11(13)4-5-16)9-2-1-3-10(15)6-9/h1-3,6-8H,4H2.
What are the key properties of 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile?
2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile has a molecular weight of 246.67 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 131869874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).