methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate

C10H7Cl2NO3 — CID 142664172

IUPACmethyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1O
InChIInChI=1S/C10H7Cl2NO3/c1-16-10(15)8-9(14)7-5(12)2-4(11)3-6(7)13-8/h2-3,13-14H,1H3
InChIKeyGZBNOPKVROIHTM-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.97
Rot. Bonds1

About methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate

methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate (PubChem CID 142664172) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate
PubChem CID142664172
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Namemethyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1O
InChIInChI=1S/C10H7Cl2NO3/c1-16-10(15)8-9(14)7-5(12)2-4(11)3-6(7)13-8/h2-3,13-14H,1H3
InChIKeyGZBNOPKVROIHTM-UHFFFAOYSA-N
XLogP2.97
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5,6,7-trichloro-4-oxo-1H-quinoline-2,3-dicarboxylate
CID 18929910
methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 54726653
methyl 3-amino-4-chloro-1H-indole-2-carboxylate
CID 4777731
ethyl 3-[(benzylamino)methyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 10926924
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
3-(4,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)prop-2-enoic acid
CID 53401090
methyl 6-oxo-3-(2,3,5-trichlorophenyl)-1H-pyridine-2-carboxylate
CID 133092682
3-[(E)-2-carboxyethenyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 172638003
methyl 5,7-dichloro-4-(methylamino)naphthalene-2-carboxylate
CID 71283288
4,6-dichloro-3-[(2-methylpropanoylamino)methyl]-1H-indole-2-carboxylic acid
CID 82214061
ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate
CID 174282944
methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate
CID 141490943

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate (CID 142664172) is methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1O.
What is the InChIKey of methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate?
The InChIKey is GZBNOPKVROIHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3/c1-16-10(15)8-9(14)7-5(12)2-4(11)3-6(7)13-8/h2-3,13-14H,1H3.
What are the key properties of methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate?
methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate has a molecular weight of 260.08 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate is sourced from PubChem (CID 142664172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).