methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate

C17H13FN2O3 — CID 10335671

IUPACmethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C17H13FN2O3/c1-23-17(22)15-16(21)14-12(9-20-15)7-11(8-19-14)6-10-2-4-13(18)5-3-10/h2-5,7-9,21H,6H2,1H3
InChIKeyKVQMCNIJHPDBTN-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.85
Rot. Bonds3

About methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate (PubChem CID 10335671) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
PubChem CID10335671
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C17H13FN2O3/c1-23-17(22)15-16(21)14-12(9-20-15)7-11(8-19-14)6-10-2-4-13(18)5-3-10/h2-5,7-9,21H,6H2,1H3
InChIKeyKVQMCNIJHPDBTN-UHFFFAOYSA-N
XLogP2.85
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate (CID 10335671) is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate is COC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The InChIKey is KVQMCNIJHPDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-23-17(22)15-16(21)14-12(9-20-15)7-11(8-19-14)6-10-2-4-13(18)5-3-10/h2-5,7-9,21H,6H2,1H3.
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 10335671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).