methyl 1H-indole-7-carboxylate;hydrochloride

C10H10ClNO2 — CID 175318571

IUPACmethyl 1H-indole-7-carboxylate;hydrochloride
SMILESCOC(=O)c1cccc2cc[nH]c12.Cl
InChIInChI=1S/C10H9NO2.ClH/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8;/h2-6,11H,1H3;1H
InChIKeyZPRCKSKQDWILRM-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.38
Rot. Bonds1

About methyl 1H-indole-7-carboxylate;hydrochloride

methyl 1H-indole-7-carboxylate;hydrochloride (PubChem CID 175318571) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is methyl 1H-indole-7-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1H-indole-7-carboxylate;hydrochloride
PubChem CID175318571
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namemethyl 1H-indole-7-carboxylate;hydrochloride
SMILESCOC(=O)c1cccc2cc[nH]c12.Cl
InChIInChI=1S/C10H9NO2.ClH/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8;/h2-6,11H,1H3;1H
InChIKeyZPRCKSKQDWILRM-UHFFFAOYSA-N
XLogP2.38
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 1H-indole-7-carboxylate;hydrochloride 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

1H-indole-7-carboxylic acid;hydrochloride
CID 67635723
sodium 1H-indole-7-carbonylazanide
CID 158877903
methyl 2-(1H-indol-7-ylmethylamino)benzoate
CID 102909440
1H-indol-7-yl-(4-methoxyphenyl)methanone
CID 141393759
methyl 7-fluoro-1H-indole-6-carboxylate
CID 122705880
azane;1H-indole-7-carboxamide
CID 174982702
methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate
CID 110861824
methyl 5-methylsulfonyl-1H-indole-7-carboxylate
CID 58306560
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate
CID 171676581
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773

Frequently Asked Questions

What is the IUPAC name of methyl 1H-indole-7-carboxylate;hydrochloride?
The IUPAC name of methyl 1H-indole-7-carboxylate;hydrochloride (CID 175318571) is methyl 1H-indole-7-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1H-indole-7-carboxylate;hydrochloride?
The canonical SMILES for methyl 1H-indole-7-carboxylate;hydrochloride is COC(=O)c1cccc2cc[nH]c12.Cl.
What is the InChIKey of methyl 1H-indole-7-carboxylate;hydrochloride?
The InChIKey is ZPRCKSKQDWILRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.ClH/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8;/h2-6,11H,1H3;1H.
What are the key properties of methyl 1H-indole-7-carboxylate;hydrochloride?
methyl 1H-indole-7-carboxylate;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1H-indole-7-carboxylate;hydrochloride is sourced from PubChem (CID 175318571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).