4-methoxy-1H-indole-2-carbonyl chloride

C10H8ClNO2 — CID 53404354

IUPAC4-methoxy-1H-indole-2-carbonyl chloride
SMILESCOc1cccc2[nH]c(C(=O)Cl)cc12
InChIInChI=1S/C10H8ClNO2/c1-14-9-4-2-3-7-6(9)5-8(12-7)10(11)13/h2-5,12H,1H3
InChIKeyZVHFHMANZZSXQG-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.56
Rot. Bonds2

About 4-methoxy-1H-indole-2-carbonyl chloride

4-methoxy-1H-indole-2-carbonyl chloride (PubChem CID 53404354) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 4-methoxy-1H-indole-2-carbonyl chloride.

Molecular Properties

Compound Name4-methoxy-1H-indole-2-carbonyl chloride
PubChem CID53404354
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name4-methoxy-1H-indole-2-carbonyl chloride
SMILESCOc1cccc2[nH]c(C(=O)Cl)cc12
InChIInChI=1S/C10H8ClNO2/c1-14-9-4-2-3-7-6(9)5-8(12-7)10(11)13/h2-5,12H,1H3
InChIKeyZVHFHMANZZSXQG-UHFFFAOYSA-N
XLogP2.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
N-hydroperoxy-4-methoxy-1H-indol-2-amine
CID 142093209
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
2-fluoro-4-methoxy-1H-indole
CID 174907936
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-indole-2-carbonyl chloride?
The IUPAC name of 4-methoxy-1H-indole-2-carbonyl chloride (CID 53404354) is 4-methoxy-1H-indole-2-carbonyl chloride.
What is the SMILES notation for 4-methoxy-1H-indole-2-carbonyl chloride?
The canonical SMILES for 4-methoxy-1H-indole-2-carbonyl chloride is COc1cccc2[nH]c(C(=O)Cl)cc12.
What is the InChIKey of 4-methoxy-1H-indole-2-carbonyl chloride?
The InChIKey is ZVHFHMANZZSXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-14-9-4-2-3-7-6(9)5-8(12-7)10(11)13/h2-5,12H,1H3.
What are the key properties of 4-methoxy-1H-indole-2-carbonyl chloride?
4-methoxy-1H-indole-2-carbonyl chloride has a molecular weight of 209.63 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-indole-2-carbonyl chloride is sourced from PubChem (CID 53404354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).