ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate

C17H14ClN3O3 — CID 70281553

IUPACethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)cc2[nH]c(C(=O)c3cccnc3)c(N)c12
InChIInChI=1S/C17H14ClN3O3/c1-2-24-17(23)11-6-10(18)7-12-13(11)14(19)15(21-12)16(22)9-4-3-5-20-8-9/h3-8,21H,2,19H2,1H3
InChIKeyUPMPLHHJVKBRHR-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.21
Rot. Bonds4

About ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate

ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate (PubChem CID 70281553) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate
PubChem CID70281553
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Nameethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)cc2[nH]c(C(=O)c3cccnc3)c(N)c12
InChIInChI=1S/C17H14ClN3O3/c1-2-24-17(23)11-6-10(18)7-12-13(11)14(19)15(21-12)16(22)9-4-3-5-20-8-9/h3-8,21H,2,19H2,1H3
InChIKeyUPMPLHHJVKBRHR-UHFFFAOYSA-N
XLogP3.21
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate?
The IUPAC name of ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate (CID 70281553) is ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate is CCOC(=O)c1cc(Cl)cc2[nH]c(C(=O)c3cccnc3)c(N)c12.
What is the InChIKey of ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate?
The InChIKey is UPMPLHHJVKBRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-2-24-17(23)11-6-10(18)7-12-13(11)14(19)15(21-12)16(22)9-4-3-5-20-8-9/h3-8,21H,2,19H2,1H3.
What are the key properties of ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate?
ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate has a molecular weight of 343.77 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)-1H-indole-4-carboxylate is sourced from PubChem (CID 70281553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).