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

C18H11N3O3 — CID 170451695

IUPAC5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid
SMILESO=C(O)c1ccc2c3cnccc3n(C(=O)c3cccnc3)c2c1
InChIInChI=1S/C18H11N3O3/c22-17(12-2-1-6-19-9-12)21-15-5-7-20-10-14(15)13-4-3-11(18(23)24)8-16(13)21/h1-10H,(H,23,24)
InChIKeyHOHFBYODGPPVND-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.97
Rot. Bonds2

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

5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid (PubChem CID 170451695) has the molecular formula C18H11N3O3 and a molecular weight of 317.30 g/mol. Its IUPAC name is 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid
PubChem CID170451695
Molecular FormulaC18H11N3O3
Molecular Weight317.30 g/mol
Exact Mass317.08
IUPAC Name5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid
SMILESO=C(O)c1ccc2c3cnccc3n(C(=O)c3cccnc3)c2c1
InChIInChI=1S/C18H11N3O3/c22-17(12-2-1-6-19-9-12)21-15-5-7-20-10-14(15)13-4-3-11(18(23)24)8-16(13)21/h1-10H,(H,23,24)
InChIKeyHOHFBYODGPPVND-UHFFFAOYSA-N
XLogP2.97
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dichlorobenzoyl)pyrido[4,3-b]indole-7-carboxylic acid
CID 170451691
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
CID 134495390
3-pyridin-3-ylbenzoic acid
CID 2795575
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
3,4-dipyridin-3-ylbenzoic acid
CID 46316417
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978

Frequently Asked Questions

What is the IUPAC name of 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid?
The IUPAC name of 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid (CID 170451695) is 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid.
What is the SMILES notation for 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid?
The canonical SMILES for 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid is O=C(O)c1ccc2c3cnccc3n(C(=O)c3cccnc3)c2c1.
What is the InChIKey of 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid?
The InChIKey is HOHFBYODGPPVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3/c22-17(12-2-1-6-19-9-12)21-15-5-7-20-10-14(15)13-4-3-11(18(23)24)8-16(13)21/h1-10H,(H,23,24).
What are the key properties of 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid?
5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridine-3-carbonyl)pyrido[4,3-b]indole-7-carboxylic acid is sourced from PubChem (CID 170451695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).