bis(2H-pyridin-1-yl)methanone

C11H12N2O — CID 54498373

IUPACbis(2H-pyridin-1-yl)methanone
SMILESO=C(N1C=CC=CC1)N1C=CC=CC1
InChIInChI=1S/C11H12N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-7,9H,8,10H2
InChIKeyYASFVGJBPAXGSZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.88
Rot. Bonds

About bis(2H-pyridin-1-yl)methanone

bis(2H-pyridin-1-yl)methanone (PubChem CID 54498373) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is bis(2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Namebis(2H-pyridin-1-yl)methanone
PubChem CID54498373
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Namebis(2H-pyridin-1-yl)methanone
SMILESO=C(N1C=CC=CC1)N1C=CC=CC1
InChIInChI=1S/C11H12N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-7,9H,8,10H2
InChIKeyYASFVGJBPAXGSZ-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-pyridine-1-carboxamide
CID 18598302
N-methylcarbamoylpyridine
CID 129798221
7,9-Diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one
CID 15461166
1,1'-Methylenebis-pyridine
CID 22976701
4-(dimethylamino)-1,3-dimethyl-4H-pyrimidin-2-one
CID 134897886
1,3-dimethyl-4H-pyrimidin-2-one
CID 15667203
N,N-dimethyl-2H-pyridine-1-carboxamide
CID 17770845
1,3-Bis(prop-2-enyl)imidazol-2-one
CID 20111743
2-Methylimidazo[1,5-a]pyridin-3-one
CID 20765731
N-cyano-2H-pyridine-1-carboxamide
CID 22149205
bis(6-chloro-2H-pyridin-1-yl)methanone
CID 22356221
N-methyl-N-(2H-pyridin-1-ylmethyl)formamide
CID 22403936

Frequently Asked Questions

What is the IUPAC name of bis(2H-pyridin-1-yl)methanone?
The IUPAC name of bis(2H-pyridin-1-yl)methanone (CID 54498373) is bis(2H-pyridin-1-yl)methanone.
What is the SMILES notation for bis(2H-pyridin-1-yl)methanone?
The canonical SMILES for bis(2H-pyridin-1-yl)methanone is O=C(N1C=CC=CC1)N1C=CC=CC1.
What is the InChIKey of bis(2H-pyridin-1-yl)methanone?
The InChIKey is YASFVGJBPAXGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-7,9H,8,10H2.
What are the key properties of bis(2H-pyridin-1-yl)methanone?
bis(2H-pyridin-1-yl)methanone has a molecular weight of 188.23 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2H-pyridin-1-yl)methanone is sourced from PubChem (CID 54498373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).