benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate

C23H15Cl2FN2O2 — CID 146234930

IUPACbenzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate
SMILESCc1nc(Cl)c2cc(Cl)c(-c3ccccc3F)nc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C23H15Cl2FN2O2/c1-13-19(23(29)30-12-14-7-3-2-4-8-14)21-16(22(25)27-13)11-17(24)20(28-21)15-9-5-6-10-18(15)26/h2-11H,12H2,1H3
InChIKeyNNTWXTVBKSOIFT-UHFFFAOYSA-N
MW441.29 g/mol
LogP6.41
Rot. Bonds4

About benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate

benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate (PubChem CID 146234930) has the molecular formula C23H15Cl2FN2O2 and a molecular weight of 441.29 g/mol. Its IUPAC name is benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate.

Molecular Properties

Compound Namebenzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate
PubChem CID146234930
Molecular FormulaC23H15Cl2FN2O2
Molecular Weight441.29 g/mol
Exact Mass440.05
IUPAC Namebenzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate
SMILESCc1nc(Cl)c2cc(Cl)c(-c3ccccc3F)nc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C23H15Cl2FN2O2/c1-13-19(23(29)30-12-14-7-3-2-4-8-14)21-16(22(25)27-13)11-17(24)20(28-21)15-9-5-6-10-18(15)26/h2-11H,12H2,1H3
InChIKeyNNTWXTVBKSOIFT-UHFFFAOYSA-N
XLogP6.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.29
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-chloro-5,6-difluoro-4-methylpyridine-2-carboxylate
CID 146489593
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
benzyl 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylate
CID 178173657
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
5-O-benzyl 3-O-ethyl 2-(chloromethyl)-4-(2,4-dichlorophenyl)-6-methylpyridine-3,5-dicarboxylate
CID 15950893
3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,6-naphthyridine-8-carboxylic acid
CID 146235243
benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 30333547
benzyl 2,6-dichloro-3-hydroxybenzoate
CID 23353668
benzyl 3-[5-chloro-6-(2-fluorophenyl)-2-(2-propan-2-ylanilino)-3-pyridinyl]-3-oxopropanoate
CID 146235494
benzyl 5-chloro-3-fluoro-2-methoxybenzoate
CID 170068005
CID 140877200
CID 140877200

Frequently Asked Questions

What is the IUPAC name of benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate?
The IUPAC name of benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate (CID 146234930) is benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate.
What is the SMILES notation for benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate?
The canonical SMILES for benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate is Cc1nc(Cl)c2cc(Cl)c(-c3ccccc3F)nc2c1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate?
The InChIKey is NNTWXTVBKSOIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2FN2O2/c1-13-19(23(29)30-12-14-7-3-2-4-8-14)21-16(22(25)27-13)11-17(24)20(28-21)15-9-5-6-10-18(15)26/h2-11H,12H2,1H3.
What are the key properties of benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate?
benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate has a molecular weight of 441.29 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate is sourced from PubChem (CID 146234930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).