3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile

C11H6FN3 — CID 147199411

IUPAC3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1ccncc1F
InChIInChI=1S/C11H6FN3/c12-11-7-15-4-2-9(11)10-6-14-3-1-8(10)5-13/h1-4,6-7H
InChIKeyCDACGGISZNWETE-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.15
Rot. Bonds1

About 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile

3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile (PubChem CID 147199411) has the molecular formula C11H6FN3 and a molecular weight of 199.19 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile
PubChem CID147199411
Molecular FormulaC11H6FN3
Molecular Weight199.19 g/mol
Exact Mass199.05
IUPAC Name3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1ccncc1F
InChIInChI=1S/C11H6FN3/c12-11-7-15-4-2-9(11)10-6-14-3-1-8(10)5-13/h1-4,6-7H
InChIKeyCDACGGISZNWETE-UHFFFAOYSA-N
XLogP2.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)pyridine-4-carbonitrile
CID 124706969
3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
CID 22473560
3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile
CID 169447841
3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
CID 133095084
3-(2,5-diaminophenyl)pyridine-4-carbonitrile
CID 18415391
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
CID 177485987
3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile
CID 142495125
3-[4-[7-[4-(4-cyano-3-pyridinyl)phenyl]pyren-2-yl]phenyl]pyridine-4-carbonitrile
CID 126542272
4-(2,3-difluorophenyl)-3-fluoropyridine
CID 118801718
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
4-(3-fluoro-4-pyridinyl)-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile
CID 122525939

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile (CID 147199411) is 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile is N#Cc1ccncc1-c1ccncc1F.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile?
The InChIKey is CDACGGISZNWETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3/c12-11-7-15-4-2-9(11)10-6-14-3-1-8(10)5-13/h1-4,6-7H.
What are the key properties of 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile?
3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile has a molecular weight of 199.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile is sourced from PubChem (CID 147199411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).