1-pyridin-4-ylpyrrole-3-carboxylic acid

C10H8N2O2 — CID 143301463

IUPAC1-pyridin-4-ylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccncc2)c1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-3-6-12(7-8)9-1-4-11-5-2-9/h1-7H,(H,13,14)
InChIKeyBEWFZLGVDDNTLZ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.57
Rot. Bonds2

About 1-pyridin-4-ylpyrrole-3-carboxylic acid

1-pyridin-4-ylpyrrole-3-carboxylic acid (PubChem CID 143301463) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-pyridin-4-ylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-4-ylpyrrole-3-carboxylic acid
PubChem CID143301463
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-pyridin-4-ylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccncc2)c1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-3-6-12(7-8)9-1-4-11-5-2-9/h1-7H,(H,13,14)
InChIKeyBEWFZLGVDDNTLZ-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylpyrrole-3-carboxylic acid?
The IUPAC name of 1-pyridin-4-ylpyrrole-3-carboxylic acid (CID 143301463) is 1-pyridin-4-ylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-pyridin-4-ylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-pyridin-4-ylpyrrole-3-carboxylic acid is O=C(O)c1ccn(-c2ccncc2)c1.
What is the InChIKey of 1-pyridin-4-ylpyrrole-3-carboxylic acid?
The InChIKey is BEWFZLGVDDNTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)8-3-6-12(7-8)9-1-4-11-5-2-9/h1-7H,(H,13,14).
What are the key properties of 1-pyridin-4-ylpyrrole-3-carboxylic acid?
1-pyridin-4-ylpyrrole-3-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylpyrrole-3-carboxylic acid is sourced from PubChem (CID 143301463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).