methyl 3-amino-4-chloro-1H-indole-2-carboxylate

C10H9ClN2O2 — CID 4777731

IUPACmethyl 3-amino-4-chloro-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(Cl)c2c1N
InChIInChI=1S/C10H9ClN2O2/c1-15-10(14)9-8(12)7-5(11)3-2-4-6(7)13-9/h2-4,13H,12H2,1H3
InChIKeyLEZOGTDDCPIUTE-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.19
Rot. Bonds1

About methyl 3-amino-4-chloro-1H-indole-2-carboxylate

methyl 3-amino-4-chloro-1H-indole-2-carboxylate (PubChem CID 4777731) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is methyl 3-amino-4-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-chloro-1H-indole-2-carboxylate
PubChem CID4777731
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namemethyl 3-amino-4-chloro-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(Cl)c2c1N
InChIInChI=1S/C10H9ClN2O2/c1-15-10(14)9-8(12)7-5(11)3-2-4-6(7)13-9/h2-4,13H,12H2,1H3
InChIKeyLEZOGTDDCPIUTE-UHFFFAOYSA-N
XLogP2.19
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,4-dimethyl-1H-indole-2-carboxylate
CID 151780672
1-(3,4-dichloro-1H-indol-2-yl)ethanone
CID 115036474
methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate
CID 11437318
methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 3315101
methyl 4,6-dichloro-3-hydroxy-1H-indole-2-carboxylate
CID 142664172
methyl 3-amino-6-methyl-1H-indole-2-carboxylate
CID 4777916
methyl 4-chloro-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 1392405
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 46942072
3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 57358889
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
methyl 4-chloro-3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 7562282

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-chloro-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-amino-4-chloro-1H-indole-2-carboxylate (CID 4777731) is methyl 3-amino-4-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-chloro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-chloro-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(Cl)c2c1N.
What is the InChIKey of methyl 3-amino-4-chloro-1H-indole-2-carboxylate?
The InChIKey is LEZOGTDDCPIUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-15-10(14)9-8(12)7-5(11)3-2-4-6(7)13-9/h2-4,13H,12H2,1H3.
What are the key properties of methyl 3-amino-4-chloro-1H-indole-2-carboxylate?
methyl 3-amino-4-chloro-1H-indole-2-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 4777731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).