2-(2,6-diamino-4-pyridinyl)benzonitrile

C12H10N4 — CID 22629705

IUPAC2-(2,6-diamino-4-pyridinyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(N)nc(N)c1
InChIInChI=1S/C12H10N4/c13-7-8-3-1-2-4-10(8)9-5-11(14)16-12(15)6-9/h1-6H,(H4,14,15,16)
InChIKeyWVVXEUCSRMLKJW-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.78
Rot. Bonds1

About 2-(2,6-diamino-4-pyridinyl)benzonitrile

2-(2,6-diamino-4-pyridinyl)benzonitrile (PubChem CID 22629705) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(2,6-diamino-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-(2,6-diamino-4-pyridinyl)benzonitrile
PubChem CID22629705
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2-(2,6-diamino-4-pyridinyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(N)nc(N)c1
InChIInChI=1S/C12H10N4/c13-7-8-3-1-2-4-10(8)9-5-11(14)16-12(15)6-9/h1-6H,(H4,14,15,16)
InChIKeyWVVXEUCSRMLKJW-UHFFFAOYSA-N
XLogP1.78
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diamino-4-pyridinyl)benzonitrile?
The IUPAC name of 2-(2,6-diamino-4-pyridinyl)benzonitrile (CID 22629705) is 2-(2,6-diamino-4-pyridinyl)benzonitrile.
What is the SMILES notation for 2-(2,6-diamino-4-pyridinyl)benzonitrile?
The canonical SMILES for 2-(2,6-diamino-4-pyridinyl)benzonitrile is N#Cc1ccccc1-c1cc(N)nc(N)c1.
What is the InChIKey of 2-(2,6-diamino-4-pyridinyl)benzonitrile?
The InChIKey is WVVXEUCSRMLKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-7-8-3-1-2-4-10(8)9-5-11(14)16-12(15)6-9/h1-6H,(H4,14,15,16).
What are the key properties of 2-(2,6-diamino-4-pyridinyl)benzonitrile?
2-(2,6-diamino-4-pyridinyl)benzonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diamino-4-pyridinyl)benzonitrile is sourced from PubChem (CID 22629705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).