(2-methyl-2H-pyridin-3-ylidene)methanone

C7H7NO — CID 174495712

IUPAC(2-methyl-2H-pyridin-3-ylidene)methanone
SMILESCC1N=CC=CC1=C=O
InChIInChI=1S/C7H7NO/c1-6-7(5-9)3-2-4-8-6/h2-4,6H,1H3
InChIKeyQEHFIZRQUNSMHC-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.77
Rot. Bonds

About (2-methyl-2H-pyridin-3-ylidene)methanone

(2-methyl-2H-pyridin-3-ylidene)methanone (PubChem CID 174495712) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is (2-methyl-2H-pyridin-3-ylidene)methanone.

Molecular Properties

Compound Name(2-methyl-2H-pyridin-3-ylidene)methanone
PubChem CID174495712
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name(2-methyl-2H-pyridin-3-ylidene)methanone
SMILESCC1N=CC=CC1=C=O
InChIInChI=1S/C7H7NO/c1-6-7(5-9)3-2-4-8-6/h2-4,6H,1H3
InChIKeyQEHFIZRQUNSMHC-UHFFFAOYSA-N
XLogP0.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2H-pyridin-3-ylidene)methanone?
The IUPAC name of (2-methyl-2H-pyridin-3-ylidene)methanone (CID 174495712) is (2-methyl-2H-pyridin-3-ylidene)methanone.
What is the SMILES notation for (2-methyl-2H-pyridin-3-ylidene)methanone?
The canonical SMILES for (2-methyl-2H-pyridin-3-ylidene)methanone is CC1N=CC=CC1=C=O.
What is the InChIKey of (2-methyl-2H-pyridin-3-ylidene)methanone?
The InChIKey is QEHFIZRQUNSMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-7(5-9)3-2-4-8-6/h2-4,6H,1H3.
What are the key properties of (2-methyl-2H-pyridin-3-ylidene)methanone?
(2-methyl-2H-pyridin-3-ylidene)methanone has a molecular weight of 121.14 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2H-pyridin-3-ylidene)methanone is sourced from PubChem (CID 174495712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).