5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid

C15H8Cl2N2O2 — CID 106988523

IUPAC5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccn2)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C15H8Cl2N2O2/c16-9-4-5-10(17)14-13(9)8(15(20)21)7-12(19-14)11-3-1-2-6-18-11/h1-7H,(H,20,21)
InChIKeyBJNMPANJCXFXKH-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.30
Rot. Bonds2

About 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid

5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 106988523) has the molecular formula C15H8Cl2N2O2 and a molecular weight of 319.15 g/mol. Its IUPAC name is 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID106988523
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.15 g/mol
Exact Mass318.00
IUPAC Name5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccn2)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C15H8Cl2N2O2/c16-9-4-5-10(17)14-13(9)8(15(20)21)7-12(19-14)11-3-1-2-6-18-11/h1-7H,(H,20,21)
InChIKeyBJNMPANJCXFXKH-UHFFFAOYSA-N
XLogP4.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 4261333
5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 106988454
2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
CID 106988492
(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17371778
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
CID 68955463
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 5024096
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 63462330
7-pyridin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 17486419

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid (CID 106988523) is 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccccn2)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is BJNMPANJCXFXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2/c16-9-4-5-10(17)14-13(9)8(15(20)21)7-12(19-14)11-3-1-2-6-18-11/h1-7H,(H,20,21).
What are the key properties of 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid?
5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 319.15 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 106988523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).