6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid

C17H16ClFN2O2 — CID 70496379

IUPAC6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid
SMILESCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)O)nc21
InChIInChI=1S/C17H16ClFN2O2/c1-17(2)8-14(9-3-4-11(19)10(18)7-9)20-12-5-6-13(16(22)23)21-15(12)17/h3-7,14,20H,8H2,1-2H3,(H,22,23)
InChIKeyQUTVGXWAJZWWNU-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.41
Rot. Bonds2

About 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid

6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid (PubChem CID 70496379) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid
PubChem CID70496379
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid
SMILESCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)O)nc21
InChIInChI=1S/C17H16ClFN2O2/c1-17(2)8-14(9-3-4-11(19)10(18)7-9)20-12-5-6-13(16(22)23)21-15(12)17/h3-7,14,20H,8H2,1-2H3,(H,22,23)
InChIKeyQUTVGXWAJZWWNU-UHFFFAOYSA-N
XLogP4.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid (CID 70496379) is 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid is CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)O)nc21.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid?
The InChIKey is QUTVGXWAJZWWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-17(2)8-14(9-3-4-11(19)10(18)7-9)20-12-5-6-13(16(22)23)21-15(12)17/h3-7,14,20H,8H2,1-2H3,(H,22,23).
What are the key properties of 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid?
6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid has a molecular weight of 334.78 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 70496379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).