2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile

C12H9N3 — CID 119004765

IUPAC2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile
SMILESN#CCc1cccnc1-c1ccncc1
InChIInChI=1S/C12H9N3/c13-6-3-10-2-1-7-15-12(10)11-4-8-14-9-5-11/h1-2,4-5,7-9H,3H2
InChIKeyXBFXANWSZUBKPH-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile

2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile (PubChem CID 119004765) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile
PubChem CID119004765
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile
SMILESN#CCc1cccnc1-c1ccncc1
InChIInChI=1S/C12H9N3/c13-6-3-10-2-1-7-15-12(10)11-4-8-14-9-5-11/h1-2,4-5,7-9H,3H2
InChIKeyXBFXANWSZUBKPH-UHFFFAOYSA-N
XLogP2.21
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile
CID 117001881
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001889
2-(2-formyl-3-pyridinyl)acetonitrile
CID 123918433
2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)acetonitrile
CID 159099022
2-(2-pyridin-2-ylphenyl)acetonitrile
CID 53446408
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
CID 133095599
2-(1,5-naphthyridin-4-yl)acetonitrile
CID 131154765
2-[1-[4-(methylamino)phenyl]isoquinolin-5-yl]acetonitrile
CID 20533955
2,2-diphenyl-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]acetamide
CID 91816035
2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile
CID 172714087
1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91816064

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile (CID 119004765) is 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile is N#CCc1cccnc1-c1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile?
The InChIKey is XBFXANWSZUBKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-6-3-10-2-1-7-15-12(10)11-4-8-14-9-5-11/h1-2,4-5,7-9H,3H2.
What are the key properties of 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile?
2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile has a molecular weight of 195.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 119004765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).