4-chloro-5-fluoro-1H-indole-3-carbonyl chloride

C9H4Cl2FNO — CID 139271421

IUPAC4-chloro-5-fluoro-1H-indole-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c2ccc(F)c(Cl)c12
InChIInChI=1S/C9H4Cl2FNO/c10-8-5(12)1-2-6-7(8)4(3-13-6)9(11)14/h1-3,13H
InChIKeyQQBBZYKKPKOZTM-UHFFFAOYSA-N
MW232.04 g/mol
LogP3.34
Rot. Bonds1

About 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride

4-chloro-5-fluoro-1H-indole-3-carbonyl chloride (PubChem CID 139271421) has the molecular formula C9H4Cl2FNO and a molecular weight of 232.04 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-5-fluoro-1H-indole-3-carbonyl chloride
PubChem CID139271421
Molecular FormulaC9H4Cl2FNO
Molecular Weight232.04 g/mol
Exact Mass230.97
IUPAC Name4-chloro-5-fluoro-1H-indole-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c2ccc(F)c(Cl)c12
InChIInChI=1S/C9H4Cl2FNO/c10-8-5(12)1-2-6-7(8)4(3-13-6)9(11)14/h1-3,13H
InChIKeyQQBBZYKKPKOZTM-UHFFFAOYSA-N
XLogP3.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
CID 118833328
ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
5-chloro-2-fluorobenzoyl chloride
CID 2773604
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957
2-(4,5-difluoro-1H-indol-3-yl)-N-ethyl-N-methyl-2-oxoacetamide
CID 168946978
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
3-methyl-1H-pyrrole-2,4-dicarbonyl chloride
CID 154175166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride?
The IUPAC name of 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride (CID 139271421) is 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride.
What is the SMILES notation for 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride?
The canonical SMILES for 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride is O=C(Cl)c1c[nH]c2ccc(F)c(Cl)c12.
What is the InChIKey of 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride?
The InChIKey is QQBBZYKKPKOZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FNO/c10-8-5(12)1-2-6-7(8)4(3-13-6)9(11)14/h1-3,13H.
What are the key properties of 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride?
4-chloro-5-fluoro-1H-indole-3-carbonyl chloride has a molecular weight of 232.04 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1H-indole-3-carbonyl chloride is sourced from PubChem (CID 139271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).