N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C14H12BrN3O2 — CID 102773966

IUPACN-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESO=[N+]([O-])c1cc(NC2CCc3cccnc32)ccc1Br
InChIInChI=1S/C14H12BrN3O2/c15-11-5-4-10(8-13(11)18(19)20)17-12-6-3-9-2-1-7-16-14(9)12/h1-2,4-5,7-8,12,17H,3,6H2
InChIKeyOWEPMWHBFIGXKI-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.85
Rot. Bonds3

About N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102773966) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102773966
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESO=[N+]([O-])c1cc(NC2CCc3cccnc32)ccc1Br
InChIInChI=1S/C14H12BrN3O2/c15-11-5-4-10(8-13(11)18(19)20)17-12-6-3-9-2-1-7-16-14(9)12/h1-2,4-5,7-8,12,17H,3,6H2
InChIKeyOWEPMWHBFIGXKI-UHFFFAOYSA-N
XLogP3.85
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146
N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773903
N-(2-bromo-4-methyl-5-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774247
N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773148
N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774228
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552
4-bromo-N-cyclohexyl-3-nitroaniline
CID 79767525
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine
CID 107803892
N-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)phenyl]acetamide
CID 102772462
N-(4-bromo-3-nitrophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149476
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102772556
N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774191

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102773966) is N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is O=[N+]([O-])c1cc(NC2CCc3cccnc32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is OWEPMWHBFIGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-5-4-10(8-13(11)18(19)20)17-12-6-3-9-2-1-7-16-14(9)12/h1-2,4-5,7-8,12,17H,3,6H2.
What are the key properties of N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 334.17 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102773966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).