1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C19H14ClN3O3 — CID 51054423

IUPAC1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1CC(c2ccncc2)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1
InChIInChI=1S/C19H14ClN3O3/c20-12-1-3-13(4-2-12)23-10-15(19(25)26)17-18(23)14(9-16(24)22-17)11-5-7-21-8-6-11/h1-8,10,14H,9H2,(H,22,24)(H,25,26)
InChIKeyOPPIYVYCBYVEQZ-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 51054423) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID51054423
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1CC(c2ccncc2)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1
InChIInChI=1S/C19H14ClN3O3/c20-12-1-3-13(4-2-12)23-10-15(19(25)26)17-18(23)14(9-16(24)22-17)11-5-7-21-8-6-11/h1-8,10,14H,9H2,(H,22,24)(H,25,26)
InChIKeyOPPIYVYCBYVEQZ-UHFFFAOYSA-N
XLogP3.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 51054423) is 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C1CC(c2ccncc2)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is OPPIYVYCBYVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-12-1-3-13(4-2-12)23-10-15(19(25)26)17-18(23)14(9-16(24)22-17)11-5-7-21-8-6-11/h1-8,10,14H,9H2,(H,22,24)(H,25,26).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 367.79 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-7-pyridin-4-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 51054423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).