6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole

C15H12ClN3O2 — CID 161315738

IUPAC6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole
SMILESO=[N+]([O-])c1cnc(Cl)cc1CCc1ccc2c(c1)N=CC2
InChIInChI=1S/C15H12ClN3O2/c16-15-8-12(14(9-18-15)19(20)21)4-2-10-1-3-11-5-6-17-13(11)7-10/h1,3,6-9H,2,4-5H2
InChIKeyMFBJPYWVBNBREN-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.69
Rot. Bonds4

About 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole

6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole (PubChem CID 161315738) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole.

Molecular Properties

Compound Name6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole
PubChem CID161315738
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole
SMILESO=[N+]([O-])c1cnc(Cl)cc1CCc1ccc2c(c1)N=CC2
InChIInChI=1S/C15H12ClN3O2/c16-15-8-12(14(9-18-15)19(20)21)4-2-10-1-3-11-5-6-17-13(11)7-10/h1,3,6-9H,2,4-5H2
InChIKeyMFBJPYWVBNBREN-UHFFFAOYSA-N
XLogP3.69
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-5-nitro-4-pyridinyl)ethanol
CID 87350535
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
2-chloro-5-iodo-4-nitropyridine
CID 131211540
2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile
CID 170737437
2-chloro-4-cyclopentyloxy-5-nitropyridine
CID 170737664
2-(2-chloro-5-nitro-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 178182197
2-chloro-5-nitro-4-phenoxypyridine
CID 91620332
4-(chloromethyl)-5-nitropyridin-2-amine
CID 19034780
2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide
CID 141369480
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
2-chloro-5-nitro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 103730747

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole?
The IUPAC name of 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole (CID 161315738) is 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole.
What is the SMILES notation for 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole?
The canonical SMILES for 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole is O=[N+]([O-])c1cnc(Cl)cc1CCc1ccc2c(c1)N=CC2.
What is the InChIKey of 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole?
The InChIKey is MFBJPYWVBNBREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-15-8-12(14(9-18-15)19(20)21)4-2-10-1-3-11-5-6-17-13(11)7-10/h1,3,6-9H,2,4-5H2.
What are the key properties of 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole?
6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole has a molecular weight of 301.73 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole is sourced from PubChem (CID 161315738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).