4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid

C10H9N3O2 — CID 91900724

IUPAC4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
SMILESNc1cc(C(=O)O)[nH]c1-c1ccccn1
InChIInChI=1S/C10H9N3O2/c11-6-5-8(10(14)15)13-9(6)7-3-1-2-4-12-7/h1-5,13H,11H2,(H,14,15)
InChIKeyNDDIXOCBAUDTPC-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.36
Rot. Bonds2

About 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid

4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 91900724) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID91900724
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
SMILESNc1cc(C(=O)O)[nH]c1-c1ccccn1
InChIInChI=1S/C10H9N3O2/c11-6-5-8(10(14)15)13-9(6)7-3-1-2-4-12-7/h1-5,13H,11H2,(H,14,15)
InChIKeyNDDIXOCBAUDTPC-UHFFFAOYSA-N
XLogP1.36
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid (CID 91900724) is 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid is Nc1cc(C(=O)O)[nH]c1-c1ccccn1.
What is the InChIKey of 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is NDDIXOCBAUDTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-6-5-8(10(14)15)13-9(6)7-3-1-2-4-12-7/h1-5,13H,11H2,(H,14,15).
What are the key properties of 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid?
4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-pyridin-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 91900724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).