3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile

C12H6F2N2 — CID 142495125

IUPAC3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2cnccc2F)c(F)c1
InChIInChI=1S/C12H6F2N2/c13-11-3-4-16-7-10(11)9-2-1-8(6-15)5-12(9)14/h1-5,7H
InChIKeyRKSDPHMBEWMSMM-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.90
Rot. Bonds1

About 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile

3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile (PubChem CID 142495125) has the molecular formula C12H6F2N2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile
PubChem CID142495125
Molecular FormulaC12H6F2N2
Molecular Weight216.19 g/mol
Exact Mass216.05
IUPAC Name3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2cnccc2F)c(F)c1
InChIInChI=1S/C12H6F2N2/c13-11-3-4-16-7-10(11)9-2-1-8(6-15)5-12(9)14/h1-5,7H
InChIKeyRKSDPHMBEWMSMM-UHFFFAOYSA-N
XLogP2.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-fluoro-4-(pyridin-3-ylamino)benzonitrile
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4-[(5-aminoisoquinolin-8-yl)amino]-3-fluorobenzonitrile
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4-chloro-3-(2,4-difluorophenyl)benzonitrile
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3-(4-chloro-2-fluorophenyl)-4-methylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile?
The IUPAC name of 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile (CID 142495125) is 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile?
The canonical SMILES for 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile is N#Cc1ccc(-c2cnccc2F)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile?
The InChIKey is RKSDPHMBEWMSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2/c13-11-3-4-16-7-10(11)9-2-1-8(6-15)5-12(9)14/h1-5,7H.
What are the key properties of 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile?
3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile has a molecular weight of 216.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile is sourced from PubChem (CID 142495125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).