6-(7H-purin-8-yl)pyridine-3-carbonitrile

C11H6N6 — CID 114402609

IUPAC6-(7H-purin-8-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc3ncncc3[nH]2)nc1
InChIInChI=1S/C11H6N6/c12-3-7-1-2-8(14-4-7)11-16-9-5-13-6-15-10(9)17-11/h1-2,4-6H,(H,13,15,16,17)
InChIKeyYVHSNSABPDHFTK-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.29
Rot. Bonds1

About 6-(7H-purin-8-yl)pyridine-3-carbonitrile

6-(7H-purin-8-yl)pyridine-3-carbonitrile (PubChem CID 114402609) has the molecular formula C11H6N6 and a molecular weight of 222.21 g/mol. Its IUPAC name is 6-(7H-purin-8-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(7H-purin-8-yl)pyridine-3-carbonitrile
PubChem CID114402609
Molecular FormulaC11H6N6
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name6-(7H-purin-8-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc3ncncc3[nH]2)nc1
InChIInChI=1S/C11H6N6/c12-3-7-1-2-8(14-4-7)11-16-9-5-13-6-15-10(9)17-11/h1-2,4-6H,(H,13,15,16,17)
InChIKeyYVHSNSABPDHFTK-UHFFFAOYSA-N
XLogP1.29
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
8-(5-ethoxy-2-pyridinyl)-7H-purine
CID 167794700
6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64722293
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64725155
8-[5-(1,1,2,2,2-pentafluoroethoxy)-2-pyridinyl]-7H-purine
CID 167848282
6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile
CID 63722697
6-(7H-purin-8-yl)pyridin-2-amine
CID 114402104
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
4-(7H-purin-8-yl)oxadiazole
CID 154350070
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
8-(4-cyclopropylphenyl)-7H-purine
CID 167906113
2-bromo-6-(7H-purin-8-yl)aniline
CID 114401929

Frequently Asked Questions

What is the IUPAC name of 6-(7H-purin-8-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(7H-purin-8-yl)pyridine-3-carbonitrile (CID 114402609) is 6-(7H-purin-8-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(7H-purin-8-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(7H-purin-8-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2nc3ncncc3[nH]2)nc1.
What is the InChIKey of 6-(7H-purin-8-yl)pyridine-3-carbonitrile?
The InChIKey is YVHSNSABPDHFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6/c12-3-7-1-2-8(14-4-7)11-16-9-5-13-6-15-10(9)17-11/h1-2,4-6H,(H,13,15,16,17).
What are the key properties of 6-(7H-purin-8-yl)pyridine-3-carbonitrile?
6-(7H-purin-8-yl)pyridine-3-carbonitrile has a molecular weight of 222.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-purin-8-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 114402609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).