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

C12H9ClN4O3 — CID 150074528

IUPAC2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]c(-c3ccnc(Cl)n3)cc2C1=O
InChIInChI=1S/C12H9ClN4O3/c13-11-14-3-1-8(16-11)9-5-6-7(15-9)2-4-17(10(6)18)12(19)20/h1,3,5,15H,2,4H2,(H,19,20)
InChIKeyDPZBQHHBIUXDQJ-UHFFFAOYSA-N
MW292.68 g/mol
LogP1.80
Rot. Bonds1

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

2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid (PubChem CID 150074528) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid
PubChem CID150074528
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC Name2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2[nH]c(-c3ccnc(Cl)n3)cc2C1=O
InChIInChI=1S/C12H9ClN4O3/c13-11-14-3-1-8(16-11)9-5-6-7(15-9)2-4-17(10(6)18)12(19)20/h1,3,5,15H,2,4H2,(H,19,20)
InChIKeyDPZBQHHBIUXDQJ-UHFFFAOYSA-N
XLogP1.80
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid (CID 150074528) is 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2[nH]c(-c3ccnc(Cl)n3)cc2C1=O.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid?
The InChIKey is DPZBQHHBIUXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c13-11-14-3-1-8(16-11)9-5-6-7(15-9)2-4-17(10(6)18)12(19)20/h1,3,5,15H,2,4H2,(H,19,20).
What are the key properties of 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid?
2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid has a molecular weight of 292.68 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 150074528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).