6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine

C13H13N3O3 — CID 140911567

IUPAC6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine
SMILESCc1cc(N)c([N+](=O)[O-])c(OCc2ccccc2)n1
InChIInChI=1S/C13H13N3O3/c1-9-7-11(14)12(16(17)18)13(15-9)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyWIMNVGKVKVFISZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.46
Rot. Bonds4

About 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine

6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine (PubChem CID 140911567) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine.

Molecular Properties

Compound Name6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine
PubChem CID140911567
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine
SMILESCc1cc(N)c([N+](=O)[O-])c(OCc2ccccc2)n1
InChIInChI=1S/C13H13N3O3/c1-9-7-11(14)12(16(17)18)13(15-9)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyWIMNVGKVKVFISZ-UHFFFAOYSA-N
XLogP2.46
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.46
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

2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine
CID 75452907
4-ethylsulfonyl-5-nitro-2,6-bis(phenylmethoxy)pyrimidine
CID 14992221
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
benzyl 3-amino-2-nitro-5-phenylmethoxybenzoate
CID 66940393
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
1,3-difluoro-5-nitro-2,4,6-tris(phenylmethoxy)benzene
CID 10743231
[4-(difluoromethoxy)-6-methyl-2-phenylmethoxy-3-pyridinyl]methanamine
CID 139543711
1,5-difluoro-2-nitro-3-phenylmethoxybenzene;2,4-difluoro-6-phenylmethoxyaniline
CID 160758760
5-fluoro-1-methyl-2-nitro-3-phenylmethoxybenzene;1,3,5-trifluoro-2-nitrobenzene
CID 158475219
1,3,4-trifluoro-2-nitro-5-phenylmethoxybenzene
CID 146529231
4-ethenyl-3-nitro-2-phenylmethoxypyridine
CID 170324419

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine?
The IUPAC name of 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine (CID 140911567) is 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine.
What is the SMILES notation for 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine?
The canonical SMILES for 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine is Cc1cc(N)c([N+](=O)[O-])c(OCc2ccccc2)n1.
What is the InChIKey of 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine?
The InChIKey is WIMNVGKVKVFISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-7-11(14)12(16(17)18)13(15-9)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15).
What are the key properties of 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine?
6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine has a molecular weight of 259.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine is sourced from PubChem (CID 140911567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).