3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid

C15H11FIN3O2 — CID 59596445

IUPAC3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(Nc2ccc(I)cc2F)c2cnccc21
InChIInChI=1S/C15H11FIN3O2/c1-20-12-4-5-18-7-9(12)13(14(20)15(21)22)19-11-3-2-8(17)6-10(11)16/h2-7,19H,1H3,(H,21,22)
InChIKeyDVANICZDHGCUSA-UHFFFAOYSA-N
MW411.17 g/mol
LogP3.76
Rot. Bonds3

About 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid

3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 59596445) has the molecular formula C15H11FIN3O2 and a molecular weight of 411.17 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID59596445
Molecular FormulaC15H11FIN3O2
Molecular Weight411.17 g/mol
Exact Mass410.99
IUPAC Name3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(Nc2ccc(I)cc2F)c2cnccc21
InChIInChI=1S/C15H11FIN3O2/c1-20-12-4-5-18-7-9(12)13(14(20)15(21)22)19-11-3-2-8(17)6-10(11)16/h2-7,19H,1H3,(H,21,22)
InChIKeyDVANICZDHGCUSA-UHFFFAOYSA-N
XLogP3.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.17
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-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

Related Compounds

3-(2-fluoro-4-iodoanilino)-1-methyl-N-piperidin-4-yloxypyrrolo[3,2-c]pyridine-2-carboxamide;formic acid
CID 160811478
ethyl 3-(2-fluoro-4-iodoanilino)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596516
ethyl 3-(2-fluoro-4-trimethylsilylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 59596497
3-(2-chloro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 59596564
7-bromo-N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 59596529
1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
CID 69398558
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
ethyl 3-(2-fluoro-4-methylanilino)-1-(2-phenylethyl)pyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686748
7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 88932158
[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-piperidin-1-ylethoxy)carbamate
CID 87407136
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
CID 59704658

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 59596445) is 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid is Cn1c(C(=O)O)c(Nc2ccc(I)cc2F)c2cnccc21.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is DVANICZDHGCUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3O2/c1-20-12-4-5-18-7-9(12)13(14(20)15(21)22)19-11-3-2-8(17)6-10(11)16/h2-7,19H,1H3,(H,21,22).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid?
3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 411.17 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 59596445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).