3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid

C19H25FN2O2 — CID 155368118

IUPAC3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid
SMILESCCCCCCCCCc1ccc(-c2c[nH]c(C(=O)O)c2F)nc1
InChIInChI=1S/C19H25FN2O2/c1-2-3-4-5-6-7-8-9-14-10-11-16(21-12-14)15-13-22-18(17(15)20)19(23)24/h10-13,22H,2-9H2,1H3,(H,23,24)
InChIKeyREMQXGREBGAONS-UHFFFAOYSA-N
MW332.42 g/mol
LogP5.21
Rot. Bonds10

About 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid

3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 155368118) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid
PubChem CID155368118
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid
SMILESCCCCCCCCCc1ccc(-c2c[nH]c(C(=O)O)c2F)nc1
InChIInChI=1S/C19H25FN2O2/c1-2-3-4-5-6-7-8-9-14-10-11-16(21-12-14)15-13-22-18(17(15)20)19(23)24/h10-13,22H,2-9H2,1H3,(H,23,24)
InChIKeyREMQXGREBGAONS-UHFFFAOYSA-N
XLogP5.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-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 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid (CID 155368118) is 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid is CCCCCCCCCc1ccc(-c2c[nH]c(C(=O)O)c2F)nc1.
What is the InChIKey of 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is REMQXGREBGAONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-2-3-4-5-6-7-8-9-14-10-11-16(21-12-14)15-13-22-18(17(15)20)19(23)24/h10-13,22H,2-9H2,1H3,(H,23,24).
What are the key properties of 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid?
3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 332.42 g/mol, XLogP of 5.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-nonyl-2-pyridinyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 155368118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).