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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Related Compounds

2-(4-amino-3,5-difluorophenyl)benzonitrile
CID 146569239
2-(2-aminoquinazolin-7-yl)benzonitrile
CID 166358266
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 118979887
5-(2-cyanophenyl)benzene-1,3-dicarboxylic acid
CID 70203209
2-phenylbenzonitrile;urea
CID 162064762
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 168837004
2-[6-[2,3-bis(2-cyanophenyl)quinoxalin-6-yl]-3-(2-cyanophenyl)quinoxalin-2-yl]benzonitrile
CID 70667457
2-[4-[(4-amino-2-methylimidazol-1-yl)methyl]phenyl]benzonitrile
CID 90855660
2-[6-(2-bromoethyl)-3-pyridinyl]benzonitrile
CID 174666708
2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile
CID 90976447
2-(1H-indol-5-yl)benzonitrile
CID 21468934
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036

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).