2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile

C12H8FN3 — CID 131870359

IUPAC2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile
SMILESN#CCc1ccc(F)c(-c2cccnc2)n1
InChIInChI=1S/C12H8FN3/c13-11-4-3-10(5-6-14)16-12(11)9-2-1-7-15-8-9/h1-4,7-8H,5H2
InChIKeyOJPVSMJKGDAXNJ-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.35
Rot. Bonds2

About 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile

2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile (PubChem CID 131870359) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile
PubChem CID131870359
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile
SMILESN#CCc1ccc(F)c(-c2cccnc2)n1
InChIInChI=1S/C12H8FN3/c13-11-4-3-10(5-6-14)16-12(11)9-2-1-7-15-8-9/h1-4,7-8H,5H2
InChIKeyOJPVSMJKGDAXNJ-UHFFFAOYSA-N
XLogP2.35
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101
2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile
CID 71732783
3-fluoro-2-pyridin-3-yl-6-(trifluoromethyl)pyridine
CID 46315838
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094175
2-(6-pyrimidin-5-yl-2-pyridinyl)acetonitrile
CID 71732785
6-(chloromethyl)-2,3-dipyridin-3-ylpyridine
CID 131870624
2,6-difluoro-3-pyridin-3-ylbenzonitrile
CID 58731401
2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 84765026
2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 93210732
2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 131870344
2-(2-fluoropyrimidin-4-yl)acetonitrile
CID 130909769
2-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316257

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile (CID 131870359) is 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile is N#CCc1ccc(F)c(-c2cccnc2)n1.
What is the InChIKey of 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile?
The InChIKey is OJPVSMJKGDAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-11-4-3-10(5-6-14)16-12(11)9-2-1-7-15-8-9/h1-4,7-8H,5H2.
What are the key properties of 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile?
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile has a molecular weight of 213.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131870359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).