4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid

C9H7N3O2 — CID 83697515

IUPAC4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1-c1ccc[nH]1
InChIInChI=1S/C9H7N3O2/c13-9(14)6-4-10-5-12-8(6)7-2-1-3-11-7/h1-5,11H,(H,13,14)
InChIKeyPCESZUZFSHHKIT-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.17
Rot. Bonds2

About 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid

4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 83697515) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid
PubChem CID83697515
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1-c1ccc[nH]1
InChIInChI=1S/C9H7N3O2/c13-9(14)6-4-10-5-12-8(6)7-2-1-3-11-7/h1-5,11H,(H,13,14)
InChIKeyPCESZUZFSHHKIT-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid (CID 83697515) is 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1-c1ccc[nH]1.
What is the InChIKey of 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is PCESZUZFSHHKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)6-4-10-5-12-8(6)7-2-1-3-11-7/h1-5,11H,(H,13,14).
What are the key properties of 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid?
4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83697515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).