3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine

C14H12BrN3O2 — CID 103519332

IUPAC3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cncc(Br)c1NC1CC1c1ccccc1
InChIInChI=1S/C14H12BrN3O2/c15-11-7-16-8-13(18(19)20)14(11)17-12-6-10(12)9-4-2-1-3-5-9/h1-5,7-8,10,12H,6H2,(H,16,17)
InChIKeyRHHJHMAXCSLOAW-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.72
Rot. Bonds4

About 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine

3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine (PubChem CID 103519332) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine
PubChem CID103519332
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cncc(Br)c1NC1CC1c1ccccc1
InChIInChI=1S/C14H12BrN3O2/c15-11-7-16-8-13(18(19)20)14(11)17-12-6-10(12)9-4-2-1-3-5-9/h1-5,7-8,10,12H,6H2,(H,16,17)
InChIKeyRHHJHMAXCSLOAW-UHFFFAOYSA-N
XLogP3.72
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.72
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

3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine
CID 103877991
3-bromo-N-(2,4-dimethylcyclohexyl)-5-nitropyridin-4-amine
CID 103519381
3-bromo-5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridin-4-amine
CID 103878152
3-bromo-N-(2-methylsulfanylcyclopentyl)-5-nitropyridin-4-amine
CID 114121837
3-bromo-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-4-amine
CID 103519427
3-bromo-5-nitro-N-(thian-4-yl)pyridin-4-amine
CID 113343669
3-bromo-N-(1,1-dioxothian-4-yl)-5-nitropyridin-4-amine
CID 103519265
N'-(3-bromo-5-nitro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 103519571
3-bromo-N-(2-cyclopropyloxan-4-yl)-5-nitropyridin-4-amine
CID 133473697
2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
CID 115593125
4-[(3-bromo-5-nitro-4-pyridinyl)amino]cyclohexane-1-carboxamide
CID 103519286
3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 62476705

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine?
The IUPAC name of 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine (CID 103519332) is 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine is O=[N+]([O-])c1cncc(Br)c1NC1CC1c1ccccc1.
What is the InChIKey of 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine?
The InChIKey is RHHJHMAXCSLOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-7-16-8-13(18(19)20)14(11)17-12-6-10(12)9-4-2-1-3-5-9/h1-5,7-8,10,12H,6H2,(H,16,17).
What are the key properties of 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine?
3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine has a molecular weight of 334.17 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-N-(2-phenylcyclopropyl)pyridin-4-amine is sourced from PubChem (CID 103519332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).