6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine

C13H8ClN3O3 — CID 114734766

IUPAC6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(-c2cc3cc(Cl)ccc3o2)n1
InChIInChI=1S/C13H8ClN3O3/c14-8-1-3-10-7(5-8)6-11(20-10)13-9(17(18)19)2-4-12(15)16-13/h1-6H,(H2,15,16)
InChIKeyNJADMCYKBQOOMT-UHFFFAOYSA-N
MW289.68 g/mol
LogP3.64
Rot. Bonds2

About 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine

6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine (PubChem CID 114734766) has the molecular formula C13H8ClN3O3 and a molecular weight of 289.68 g/mol. Its IUPAC name is 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine
PubChem CID114734766
Molecular FormulaC13H8ClN3O3
Molecular Weight289.68 g/mol
Exact Mass289.03
IUPAC Name6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(-c2cc3cc(Cl)ccc3o2)n1
InChIInChI=1S/C13H8ClN3O3/c14-8-1-3-10-7(5-8)6-11(20-10)13-9(17(18)19)2-4-12(15)16-13/h1-6H,(H2,15,16)
InChIKeyNJADMCYKBQOOMT-UHFFFAOYSA-N
XLogP3.64
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-nitropyridin-2-amine
CID 3069277
6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734697
6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 114734495
6-(5-chloro-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734745
4-chloro-2-nitroaniline
CID 6979
5-nitro-6-pyridin-4-ylpyridin-2-amine
CID 13309018
2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
6-(5-chloro-1-benzofuran-2-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114734742
2-[(6-amino-3-nitro-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 80885230
5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62886176
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 43148001

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine?
The IUPAC name of 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine (CID 114734766) is 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(-c2cc3cc(Cl)ccc3o2)n1.
What is the InChIKey of 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine?
The InChIKey is NJADMCYKBQOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3/c14-8-1-3-10-7(5-8)6-11(20-10)13-9(17(18)19)2-4-12(15)16-13/h1-6H,(H2,15,16).
What are the key properties of 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine?
6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine has a molecular weight of 289.68 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-1-benzofuran-2-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 114734766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).