formonitrile;1-pyridin-3-ylethanone

C8H8N2O — CID 174750729

IUPACformonitrile;1-pyridin-3-ylethanone
SMILESC#N.CC(=O)c1cccnc1
InChIInChI=1S/C7H7NO.CHN/c1-6(9)7-3-2-4-8-5-7;1-2/h2-5H,1H3;1H
InChIKeySHCMOSKZOVNUTR-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.42
Rot. Bonds1

About formonitrile;1-pyridin-3-ylethanone

formonitrile;1-pyridin-3-ylethanone (PubChem CID 174750729) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is formonitrile;1-pyridin-3-ylethanone.

Molecular Properties

Compound Nameformonitrile;1-pyridin-3-ylethanone
PubChem CID174750729
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Nameformonitrile;1-pyridin-3-ylethanone
SMILESC#N.CC(=O)c1cccnc1
InChIInChI=1S/C7H7NO.CHN/c1-6(9)7-3-2-4-8-5-7;1-2/h2-5H,1H3;1H
InChIKeySHCMOSKZOVNUTR-UHFFFAOYSA-N
XLogP1.42
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-ylethanone;hydrochloride
CID 69233376
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone
CID 149217714
(Z)-3-methylsulfanyl-1-pyridin-3-ylbut-2-en-1-one;1-pyridin-3-ylethanone
CID 159777179
dimethyl carbonate;methyl 3-oxo-3-pyridin-3-ylpropanoate;1-pyridin-3-ylethanone
CID 160688200
1-pyridin-3-ylethanethione
CID 11815891
CID 157283677
CID 157283677
CID 131854915
CID 131854915
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
nickel;pyridine-3-carboxylic acid
CID 174049937
(111C)methyl pyridine-3-carboxylate
CID 11309537
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of formonitrile;1-pyridin-3-ylethanone?
The IUPAC name of formonitrile;1-pyridin-3-ylethanone (CID 174750729) is formonitrile;1-pyridin-3-ylethanone.
What is the SMILES notation for formonitrile;1-pyridin-3-ylethanone?
The canonical SMILES for formonitrile;1-pyridin-3-ylethanone is C#N.CC(=O)c1cccnc1.
What is the InChIKey of formonitrile;1-pyridin-3-ylethanone?
The InChIKey is SHCMOSKZOVNUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.CHN/c1-6(9)7-3-2-4-8-5-7;1-2/h2-5H,1H3;1H.
What are the key properties of formonitrile;1-pyridin-3-ylethanone?
formonitrile;1-pyridin-3-ylethanone has a molecular weight of 148.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1-pyridin-3-ylethanone is sourced from PubChem (CID 174750729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).