6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine

C14H12ClN3O2 — CID 104695824

IUPAC6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C14H12ClN3O2/c15-13-7-12(18(19)20)8-14(17-13)16-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,16,17)
InChIKeyDOFOCZXOWDDNQB-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.22
Rot. Bonds3

About 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine

6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine (PubChem CID 104695824) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
PubChem CID104695824
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C14H12ClN3O2/c15-13-7-12(18(19)20)8-14(17-13)16-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,16,17)
InChIKeyDOFOCZXOWDDNQB-UHFFFAOYSA-N
XLogP3.22
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
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

6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine
CID 104925398
6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
CID 114101548
6-chloro-N-(3-ethylsulfanylcyclopentyl)-4-nitropyridin-2-amine
CID 103888843
2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 103888341
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104952878
6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine
CID 103889061
6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
6-chloro-N-[(2-methylphenyl)methyl]-4-nitropyridin-2-amine
CID 103886427
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine
CID 103889009
5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine (CID 104695824) is 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NC2Cc3ccccc3C2)c1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine?
The InChIKey is DOFOCZXOWDDNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-13-7-12(18(19)20)8-14(17-13)16-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,16,17).
What are the key properties of 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine?
6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine has a molecular weight of 289.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine is sourced from PubChem (CID 104695824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).