5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine

C13H12BrN3O2 — CID 63463330

IUPAC5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
SMILESCCc1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12BrN3O2/c1-2-9-5-3-4-6-11(9)16-13-12(17(18)19)7-10(14)8-15-13/h3-8H,2H2,1H3,(H,15,16)
InChIKeyOWCBDIIXGHXEOH-UHFFFAOYSA-N
MW322.16 g/mol
LogP4.06
Rot. Bonds4

About 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine

5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine (PubChem CID 63463330) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
PubChem CID63463330
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
SMILESCCc1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12BrN3O2/c1-2-9-5-3-4-6-11(9)16-13-12(17(18)19)7-10(14)8-15-13/h3-8H,2H2,1H3,(H,15,16)
InChIKeyOWCBDIIXGHXEOH-UHFFFAOYSA-N
XLogP4.06
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 54.06
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-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375655
2-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115698431
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
4-N,6-N-bis(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482571
4-N-(2-bromophenyl)-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482676
5-bromo-N-(3,4-dimethylphenyl)-3-nitropyridin-2-amine
CID 63462334
5-bromo-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375081
5-bromo-3-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 94190114
6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 80750781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine (CID 63463330) is 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine is CCc1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine?
The InChIKey is OWCBDIIXGHXEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-2-9-5-3-4-6-11(9)16-13-12(17(18)19)7-10(14)8-15-13/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine?
5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine has a molecular weight of 322.16 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 63463330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).