4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid

C15H7Cl3N2O2 — CID 175541558

IUPAC4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(-c3cccc(Cl)c3Cl)cncc2c1Cl
InChIInChI=1S/C15H7Cl3N2O2/c16-11-3-1-2-7(13(11)18)8-4-19-5-9-12(17)10(15(21)22)6-20-14(8)9/h1-6H,(H,21,22)
InChIKeyRRCVLHYNUZXSIU-UHFFFAOYSA-N
MW353.59 g/mol
LogP4.96
Rot. Bonds2

About 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid

4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid (PubChem CID 175541558) has the molecular formula C15H7Cl3N2O2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid
PubChem CID175541558
Molecular FormulaC15H7Cl3N2O2
Molecular Weight353.59 g/mol
Exact Mass351.96
IUPAC Name4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(-c3cccc(Cl)c3Cl)cncc2c1Cl
InChIInChI=1S/C15H7Cl3N2O2/c16-11-3-1-2-7(13(11)18)8-4-19-5-9-12(17)10(15(21)22)6-20-14(8)9/h1-6H,(H,21,22)
InChIKeyRRCVLHYNUZXSIU-UHFFFAOYSA-N
XLogP4.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid
CID 156882069
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
1-[4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazin-7-yl]ethanone
CID 137391062
4,6,8-trichloroquinoline-3-carboxylic acid
CID 86810509
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide
CID 137391063
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
2-bromo-1-(4-chloro-8-phenylquinolin-3-yl)ethanone
CID 125472511
4-chloro-1,8-naphthyridine-3-carboxylic acid
CID 84676405
1,5-dichloroisoquinoline-4-carboxylic acid
CID 84703045

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid (CID 175541558) is 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid is O=C(O)c1cnc2c(-c3cccc(Cl)c3Cl)cncc2c1Cl.
What is the InChIKey of 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is RRCVLHYNUZXSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3N2O2/c16-11-3-1-2-7(13(11)18)8-4-19-5-9-12(17)10(15(21)22)6-20-14(8)9/h1-6H,(H,21,22).
What are the key properties of 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid?
4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 353.59 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175541558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).