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

C12H10BrN3O3 — CID 61375655

IUPAC5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
SMILESCOc1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10BrN3O3/c1-19-11-5-3-2-4-9(11)15-12-10(16(17)18)6-8(13)7-14-12/h2-7H,1H3,(H,14,15)
InChIKeyAEMBTFISMSIUJH-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.50
Rot. Bonds4

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

5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine (PubChem CID 61375655) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
PubChem CID61375655
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
SMILESCOc1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10BrN3O3/c1-19-11-5-3-2-4-9(11)15-12-10(16(17)18)6-8(13)7-14-12/h2-7H,1H3,(H,14,15)
InChIKeyAEMBTFISMSIUJH-UHFFFAOYSA-N
XLogP3.50
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
4-bromo-N-(2-methoxyphenyl)-2-nitroaniline
CID 63462508
5-bromo-3-chloro-N-(2-methoxyphenyl)pyridin-2-amine
CID 103583055
5-bromo-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375081
2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 114043106
5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine
CID 61375850
5-bromo-N-(3,4-dimethylphenyl)-3-nitropyridin-2-amine
CID 63462334
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
6-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22532320
2-N-(2-methoxyphenyl)-4-N-methyl-5-nitropyrimidine-2,4-diamine
CID 21077397

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine (CID 61375655) is 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine is COc1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine?
The InChIKey is AEMBTFISMSIUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c1-19-11-5-3-2-4-9(11)15-12-10(16(17)18)6-8(13)7-14-12/h2-7H,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine?
5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine has a molecular weight of 324.13 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 61375655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).