N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine

C18H14BrN3O3 — CID 67312149

IUPACN-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine
SMILESO=[N+]([O-])c1ccc(OCc2ccccc2)nc1Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O3/c19-14-6-8-15(9-7-14)20-18-16(22(23)24)10-11-17(21-18)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)
InChIKeyGJPSEDFTNZOHRN-UHFFFAOYSA-N
MW400.23 g/mol
LogP5.07
Rot. Bonds6

About N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine

N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine (PubChem CID 67312149) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine
PubChem CID67312149
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC NameN-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine
SMILESO=[N+]([O-])c1ccc(OCc2ccccc2)nc1Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O3/c19-14-6-8-15(9-7-14)20-18-16(22(23)24)10-11-17(21-18)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)
InChIKeyGJPSEDFTNZOHRN-UHFFFAOYSA-N
XLogP5.07
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.23
LogP ≤ 55.07
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

[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methyl acetate;ethane
CID 171494347
3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
CID 2783708
4-bromo-1-nitro-2-(2-phenylmethoxyethoxy)benzene
CID 122504329
[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol
CID 171496139
N-(4-bromo-2-nitro-3-phenylmethoxyphenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine
CID 177010398
[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methyl acetate
CID 171494348
4-bromo-2-nitro-1-phenylmethoxybenzene
CID 11278242
6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine
CID 171495426
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]benzoic acid
CID 115321182
5-bromo-N-(4-bromophenyl)-3-nitropyridin-2-amine
CID 63462190
7-chloro-6-nitro-N-(4-phenylmethoxyphenyl)quinazolin-2-amine
CID 156788527
methyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]benzoate
CID 171495729

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine?
The IUPAC name of N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine (CID 67312149) is N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine is O=[N+]([O-])c1ccc(OCc2ccccc2)nc1Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine?
The InChIKey is GJPSEDFTNZOHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c19-14-6-8-15(9-7-14)20-18-16(22(23)24)10-11-17(21-18)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine?
N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine has a molecular weight of 400.23 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 67312149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).