sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate

C16H12FN2NaO3 — CID 70443924

IUPACsodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate
SMILESCC1=C(C(=O)[O-])C(c2ccccc2F)c2c(cc[nH]c2=O)N1.[Na+]
InChIInChI=1S/C16H13FN2O3.Na/c1-8-12(16(21)22)13(9-4-2-3-5-10(9)17)14-11(19-8)6-7-18-15(14)20;/h2-7,13,19H,1H3,(H,18,20)(H,21,22);/q;+1/p-1
InChIKeyURCOOELFZJCQML-UHFFFAOYSA-M
MW322.27 g/mol
LogP-1.90
Rot. Bonds2

About sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate

sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate (PubChem CID 70443924) has the molecular formula C16H12FN2NaO3 and a molecular weight of 322.27 g/mol. Its IUPAC name is sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namesodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate
PubChem CID70443924
Molecular FormulaC16H12FN2NaO3
Molecular Weight322.27 g/mol
Exact Mass322.07
IUPAC Namesodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate
SMILESCC1=C(C(=O)[O-])C(c2ccccc2F)c2c(cc[nH]c2=O)N1.[Na+]
InChIInChI=1S/C16H13FN2O3.Na/c1-8-12(16(21)22)13(9-4-2-3-5-10(9)17)14-11(19-8)6-7-18-15(14)20;/h2-7,13,19H,1H3,(H,18,20)(H,21,22);/q;+1/p-1
InChIKeyURCOOELFZJCQML-UHFFFAOYSA-M
XLogP-1.90
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate (CID 70443924) is sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate is CC1=C(C(=O)[O-])C(c2ccccc2F)c2c(cc[nH]c2=O)N1.[Na+].
What is the InChIKey of sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate?
The InChIKey is URCOOELFZJCQML-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13FN2O3.Na/c1-8-12(16(21)22)13(9-4-2-3-5-10(9)17)14-11(19-8)6-7-18-15(14)20;/h2-7,13,19H,1H3,(H,18,20)(H,21,22);/q;+1/p-1.
What are the key properties of sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate?
sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate has a molecular weight of 322.27 g/mol, XLogP of -1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 70443924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).