ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate

C18H15ClN4O3 — CID 137174932

IUPACethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(Cl)cc2c1/C=N\NC(=O)c1ccncc1
InChIInChI=1S/C18H15ClN4O3/c1-2-26-18(25)16-14(13-9-12(19)3-4-15(13)22-16)10-21-23-17(24)11-5-7-20-8-6-11/h3-10,22H,2H2,1H3,(H,23,24)/b21-10-
InChIKeyNUURDOHIVPBHQJ-FBHDLOMBSA-N
MW370.80 g/mol
LogP3.16
Rot. Bonds5

About ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate

ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate (PubChem CID 137174932) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate
PubChem CID137174932
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Nameethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(Cl)cc2c1/C=N\NC(=O)c1ccncc1
InChIInChI=1S/C18H15ClN4O3/c1-2-26-18(25)16-14(13-9-12(19)3-4-15(13)22-16)10-21-23-17(24)11-5-7-20-8-6-11/h3-10,22H,2H2,1H3,(H,23,24)/b21-10-
InChIKeyNUURDOHIVPBHQJ-FBHDLOMBSA-N
XLogP3.16
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid
CID 137189876
ethyl 6-chloro-3-[(E)-(pentanoylhydrazinylidene)methyl]-1H-indole-2-carboxylate
CID 155528084
ethyl 5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indole-2-carboxylate
CID 135939797
ethyl 6-chloro-3-[(E)-(4-methylpentanoylhydrazinylidene)methyl]-1H-indole-2-carboxylate
CID 155551132
ethyl 6-chloro-3-[(E)-[[2-(2-oxopyrrolidin-1-yl)acetyl]hydrazinylidene]methyl]-1H-indole-2-carboxylate
CID 155519576
[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4987854
N-[(E)-[4-[2-(4-chloro-2-methylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-4-carboxamide
CID 171987893
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
ethyl 5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135710471
N-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 3351053
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6256828
N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 4518563

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate (CID 137174932) is ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/C=N\NC(=O)c1ccncc1.
What is the InChIKey of ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
The InChIKey is NUURDOHIVPBHQJ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-2-26-18(25)16-14(13-9-12(19)3-4-15(13)22-16)10-21-23-17(24)11-5-7-20-8-6-11/h3-10,22H,2H2,1H3,(H,23,24)/b21-10-.
What are the key properties of ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate has a molecular weight of 370.80 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 137174932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).