4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide

C17H14ClFIN3O3 — CID 59452200

IUPAC4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NOCCO)c1cc2c(Cl)cncc2n1Cc1ccc(I)cc1F
InChIInChI=1S/C17H14ClFIN3O3/c18-13-7-21-8-16-12(13)6-15(17(25)22-26-4-3-24)23(16)9-10-1-2-11(20)5-14(10)19/h1-2,5-8,24H,3-4,9H2,(H,22,25)
InChIKeyRVFSJIRDECBMSZ-UHFFFAOYSA-N
MW489.67 g/mol
LogP3.14
Rot. Bonds6

About 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide

4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 59452200) has the molecular formula C17H14ClFIN3O3 and a molecular weight of 489.67 g/mol. Its IUPAC name is 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID59452200
Molecular FormulaC17H14ClFIN3O3
Molecular Weight489.67 g/mol
Exact Mass488.98
IUPAC Name4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NOCCO)c1cc2c(Cl)cncc2n1Cc1ccc(I)cc1F
InChIInChI=1S/C17H14ClFIN3O3/c18-13-7-21-8-16-12(13)6-15(17(25)22-26-4-3-24)23(16)9-10-1-2-11(20)5-14(10)19/h1-2,5-8,24H,3-4,9H2,(H,22,25)
InChIKeyRVFSJIRDECBMSZ-UHFFFAOYSA-N
XLogP3.14
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.67
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-acetyl-4-ethyl-2-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)thiophene-3-carboxamide
CID 165042314
7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 88932158
3-(2-chloro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 59596564
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
CID 59704749
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 44603081
1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 58300341
1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 123161844
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-7-oxo-6H-thieno[2,3-d]pyridazine-2-carboxamide
CID 59703868
[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate
CID 87407476

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide (CID 59452200) is 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(NOCCO)c1cc2c(Cl)cncc2n1Cc1ccc(I)cc1F.
What is the InChIKey of 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is RVFSJIRDECBMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFIN3O3/c18-13-7-21-8-16-12(13)6-15(17(25)22-26-4-3-24)23(16)9-10-1-2-11(20)5-14(10)19/h1-2,5-8,24H,3-4,9H2,(H,22,25).
What are the key properties of 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide?
4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 489.67 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 59452200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).