5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine

C14H14BrN3O2 — CID 63462837

IUPAC5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
SMILESCC(C)c1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14BrN3O2/c1-9(2)11-5-3-4-6-12(11)17-14-13(18(19)20)7-10(15)8-16-14/h3-9H,1-2H3,(H,16,17)
InChIKeyWSDYSXRTBVTILX-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.62
Rot. Bonds4

About 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine

5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine (PubChem CID 63462837) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
PubChem CID63462837
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
SMILESCC(C)c1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14BrN3O2/c1-9(2)11-5-3-4-6-12(11)17-14-13(18(19)20)7-10(15)8-16-14/h3-9H,1-2H3,(H,16,17)
InChIKeyWSDYSXRTBVTILX-UHFFFAOYSA-N
XLogP4.62
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.62
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

5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
CID 63463330
5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375655
5-bromo-3-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 94190114
5-bromo-N-(4-bromophenyl)-3-nitropyridin-2-amine
CID 63462190
5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63462010
5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine
CID 61375850
5-bromo-N-(3,4-dimethylphenyl)-3-nitropyridin-2-amine
CID 63462334
2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
CID 61229226
N-[1-(4-aminophenyl)ethyl]-5-bromo-3-nitropyridin-2-amine
CID 116650532
5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 63008221
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
5-bromo-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375081

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine (CID 63462837) is 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine is CC(C)c1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine?
The InChIKey is WSDYSXRTBVTILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9(2)11-5-3-4-6-12(11)17-14-13(18(19)20)7-10(15)8-16-14/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine?
5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine has a molecular weight of 336.19 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 63462837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).