N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine

C12H9BrClN3O2 — CID 107636959

IUPACN-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine
SMILESCc1c(Br)cccc1Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9BrClN3O2/c1-7-8(13)3-2-4-9(7)15-12-10(17(18)19)5-6-11(14)16-12/h2-6H,1H3,(H,15,16)
InChIKeyVNTRPWPXSCPVAT-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.46
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine

N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine (PubChem CID 107636959) has the molecular formula C12H9BrClN3O2 and a molecular weight of 342.58 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine
PubChem CID107636959
Molecular FormulaC12H9BrClN3O2
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC NameN-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine
SMILESCc1c(Br)cccc1Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9BrClN3O2/c1-7-8(13)3-2-4-9(7)15-12-10(17(18)19)5-6-11(14)16-12/h2-6H,1H3,(H,15,16)
InChIKeyVNTRPWPXSCPVAT-UHFFFAOYSA-N
XLogP4.46
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
4-bromo-2-[(6-chloro-3-nitro-2-pyridinyl)amino]benzonitrile
CID 107800069
6-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330241
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617217
N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
CID 113452360
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260
2-chloro-N-(3-iodo-2-methylphenyl)-5-nitropyrimidin-4-amine
CID 114257791
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
6-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 104829509
1-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366553
2-[(6-chloro-3-nitro-2-pyridinyl)amino]-5-fluorobenzonitrile
CID 82015863

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine (CID 107636959) is N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine is Cc1c(Br)cccc1Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine?
The InChIKey is VNTRPWPXSCPVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2/c1-7-8(13)3-2-4-9(7)15-12-10(17(18)19)5-6-11(14)16-12/h2-6H,1H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine?
N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine has a molecular weight of 342.58 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-6-chloro-3-nitropyridin-2-amine is sourced from PubChem (CID 107636959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).