3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen

C9H10N2O — CID 176580356

IUPAC3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
SMILESCc1cc2ncccc2[nH]c1=O.[H][H]
InChIInChI=1S/C9H8N2O.H2/c1-6-5-8-7(11-9(6)12)3-2-4-10-8;/h2-5H,1H3,(H,11,12);1H
InChIKeyLILGQGPDSHCWSW-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.48
Rot. Bonds

About 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen

3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen (PubChem CID 176580356) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
PubChem CID176580356
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
SMILESCc1cc2ncccc2[nH]c1=O.[H][H]
InChIInChI=1S/C9H8N2O.H2/c1-6-5-8-7(11-9(6)12)3-2-4-10-8;/h2-5H,1H3,(H,11,12);1H
InChIKeyLILGQGPDSHCWSW-UHFFFAOYSA-N
XLogP1.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1H-1,5-naphthyridin-2-one
CID 12992200
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205
CID 87453078
CID 87453078
3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one
CID 172553428
N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 141129422
CID 177022453
CID 177022453
1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid
CID 172829313
1H-pyrrolo[3,2-b]pyridin-2-ylmethylcarbamic acid
CID 174209450
N-hydroxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 87356821
2,6-dimethyl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 102299890
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 170754494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen?
The IUPAC name of 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen (CID 176580356) is 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen.
What is the SMILES notation for 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen?
The canonical SMILES for 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen is Cc1cc2ncccc2[nH]c1=O.[H][H].
What is the InChIKey of 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen?
The InChIKey is LILGQGPDSHCWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.H2/c1-6-5-8-7(11-9(6)12)3-2-4-10-8;/h2-5H,1H3,(H,11,12);1H.
What are the key properties of 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen?
3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen has a molecular weight of 162.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen is sourced from PubChem (CID 176580356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).