6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol

C14H15N3O3 — CID 79150682

IUPAC6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(C)c2)n1
InChIInChI=1S/C14H15N3O3/c1-9-7-11(4-5-13(9)17(19)20)15-8-12-14(18)6-3-10(2)16-12/h3-7,15,18H,8H2,1-2H3
InChIKeyKGNGINCSMAMHOX-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.92
Rot. Bonds4

About 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol

6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol (PubChem CID 79150682) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol
PubChem CID79150682
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(C)c2)n1
InChIInChI=1S/C14H15N3O3/c1-9-7-11(4-5-13(9)17(19)20)15-8-12-14(18)6-3-10(2)16-12/h3-7,15,18H,8H2,1-2H3
InChIKeyKGNGINCSMAMHOX-UHFFFAOYSA-N
XLogP2.92
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
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'}

Analyze 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[(3-methyl-4-nitroanilino)methyl]phenol
CID 63324660
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135
2-bromo-4-[(3-methyl-4-nitroanilino)methyl]phenol
CID 63047287
2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163518
N,N'-bis(3-methyl-4-nitrophenyl)propane-1,3-diamine
CID 58611252
3-methyl-4-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 60876177
2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79479389
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-nitroaniline
CID 54896383
3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-nitroaniline
CID 54893664
3-methyl-4-nitro-N-prop-2-ynylaniline
CID 62140888
N-(2-chloroprop-2-enyl)-3-methyl-4-nitroaniline
CID 115637284
N-[(4,5-dibromofuran-2-yl)methyl]-3-methyl-4-nitroaniline
CID 55032311

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol (CID 79150682) is 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(C)c2)n1.
What is the InChIKey of 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol?
The InChIKey is KGNGINCSMAMHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-7-11(4-5-13(9)17(19)20)15-8-12-14(18)6-3-10(2)16-12/h3-7,15,18H,8H2,1-2H3.
What are the key properties of 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol?
6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol has a molecular weight of 273.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79150682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).