2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid

C10H8N2O2 — CID 83697428

IUPAC2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc[nH]2)c1
InChIInChI=1S/C10H8N2O2/c13-10(14)7-3-5-12-9(6-7)8-2-1-4-11-8/h1-6,11H,(H,13,14)
InChIKeyRKSPSQDURYMIDD-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.77
Rot. Bonds2

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

2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid (PubChem CID 83697428) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid
PubChem CID83697428
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc[nH]2)c1
InChIInChI=1S/C10H8N2O2/c13-10(14)7-3-5-12-9(6-7)8-2-1-4-11-8/h1-6,11H,(H,13,14)
InChIKeyRKSPSQDURYMIDD-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 802
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1H-Indole-5-Carboxylic Acid
CID 74280
1H-indole-6-carboxylic acid
CID 595230
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Penicinoline
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6-Phenylnicotinic acid
CID 120118
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
Pyrrolopyridine, 31
CID 16720315
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid (CID 83697428) is 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccc[nH]2)c1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is RKSPSQDURYMIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)7-3-5-12-9(6-7)8-2-1-4-11-8/h1-6,11H,(H,13,14).
What are the key properties of 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid?
2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 83697428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).