5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid

C19H10Cl2N2O3 — CID 170451691

IUPAC5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid
SMILESO=C(O)c1ccc2c3cnccc3n(C(=O)c3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C19H10Cl2N2O3/c20-12-5-11(6-13(21)8-12)18(24)23-16-3-4-22-9-15(16)14-2-1-10(19(25)26)7-17(14)23/h1-9H,(H,25,26)
InChIKeyOODYDNHMHOSRMX-UHFFFAOYSA-N
MW385.21 g/mol
LogP4.88
Rot. Bonds2

About 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid

5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid (PubChem CID 170451691) has the molecular formula C19H10Cl2N2O3 and a molecular weight of 385.21 g/mol. Its IUPAC name is 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid
PubChem CID170451691
Molecular FormulaC19H10Cl2N2O3
Molecular Weight385.21 g/mol
Exact Mass384.01
IUPAC Name5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid
SMILESO=C(O)c1ccc2c3cnccc3n(C(=O)c3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C19H10Cl2N2O3/c20-12-5-11(6-13(21)8-12)18(24)23-16-3-4-22-9-15(16)14-2-1-10(19(25)26)7-17(14)23/h1-9H,(H,25,26)
InChIKeyOODYDNHMHOSRMX-UHFFFAOYSA-N
XLogP4.88
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid
CID 170451695
(4-chlorophenyl)-(2-hydroxycarbazol-9-yl)methanone
CID 20787891
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
CID 134495390
4-[[7-(hydroxymethyl)pyrido[3,4-b]indol-9-yl]methyl]benzoic acid
CID 91328246
isoquinoline-7-carboxylic acid
CID 18468721
tert-butyl 11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8-carboxylate
CID 118010769
3-chloro-5-isoquinolin-5-ylbenzoic acid
CID 107957193
4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 117275136
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 123312715

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid?
The IUPAC name of 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid (CID 170451691) is 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid.
What is the SMILES notation for 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid?
The canonical SMILES for 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid is O=C(O)c1ccc2c3cnccc3n(C(=O)c3cc(Cl)cc(Cl)c3)c2c1.
What is the InChIKey of 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid?
The InChIKey is OODYDNHMHOSRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2N2O3/c20-12-5-11(6-13(21)8-12)18(24)23-16-3-4-22-9-15(16)14-2-1-10(19(25)26)7-17(14)23/h1-9H,(H,25,26).
What are the key properties of 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid?
5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid has a molecular weight of 385.21 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid is sourced from PubChem (CID 170451691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).