7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one

C12H13FN2O — CID 122543647

IUPAC7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCc1cc2cc(C(C)C)c(=O)[nH]c2nc1F
InChIInChI=1S/C12H13FN2O/c1-6(2)9-5-8-4-7(3)10(13)14-11(8)15-12(9)16/h4-6H,1-3H3,(H,14,15,16)
InChIKeyLWEBGTIRWRUPRK-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.49
Rot. Bonds1

About 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one

7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one (PubChem CID 122543647) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
PubChem CID122543647
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCc1cc2cc(C(C)C)c(=O)[nH]c2nc1F
InChIInChI=1S/C12H13FN2O/c1-6(2)9-5-8-4-7(3)10(13)14-11(8)15-12(9)16/h4-6H,1-3H3,(H,14,15,16)
InChIKeyLWEBGTIRWRUPRK-UHFFFAOYSA-N
XLogP2.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-propan-2-yl-8H-pyrido[2,3-c]pyridazin-7-one
CID 162777650
5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543639
5-fluoro-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 162777670
5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543656
5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one
CID 91057359
2-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 122543721
3-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
CID 58327584
6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
CID 154591387
2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 176552982
3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one
CID 122544848
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
5-(difluoromethyl)-2-fluoro-6-iodo-3-methylpyridine
CID 130079920

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one (CID 122543647) is 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one is Cc1cc2cc(C(C)C)c(=O)[nH]c2nc1F.
What is the InChIKey of 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is LWEBGTIRWRUPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-6(2)9-5-8-4-7(3)10(13)14-11(8)15-12(9)16/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 220.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 122543647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).