2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol

C28H30N6O6 — CID 157167001

IUPAC2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol
SMILESCc1nc(Nc2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O.Cc1nc(Nc2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O
InChIInChI=1S/2C14H15N3O3/c2*1-8-9(2)14(15-10(3)13(8)18)16-11-4-6-12(7-5-11)17(19)20/h2*4-7,18H,1-3H3,(H,15,16)
InChIKeyANAMRTUBSCTNGF-UHFFFAOYSA-N
MW546.58 g/mol
LogP6.73
Rot. Bonds6

About 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol

2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol (PubChem CID 157167001) has the molecular formula C28H30N6O6 and a molecular weight of 546.58 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol
PubChem CID157167001
Molecular FormulaC28H30N6O6
Molecular Weight546.58 g/mol
Exact Mass546.22
IUPAC Name2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol
SMILESCc1nc(Nc2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O.Cc1nc(Nc2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O
InChIInChI=1S/2C14H15N3O3/c2*1-8-9(2)14(15-10(3)13(8)18)16-11-4-6-12(7-5-11)17(19)20/h2*4-7,18H,1-3H3,(H,15,16)
InChIKeyANAMRTUBSCTNGF-UHFFFAOYSA-N
XLogP6.73
TPSA176.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.58
LogP ≤ 56.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4,5-trimethyl-6-(4-nitroanilino)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

1-(4-nitrophenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
CID 157090092
5-N,6-N-bis(4-nitrophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3123790
4-(4-nitroanilino)benzene-1,2-diol
CID 154216315
2-(4-nitroanilino)phenol
CID 14224817
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
1-[5-[tert-butyl(dimethyl)silyl]oxy-3,4,6-trimethyl-2-pyridinyl]-3-(4-nitrophenyl)thiourea
CID 151412726
N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236
N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
2-methyl-3-(4-nitroanilino)benzoic acid
CID 4763865
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
4-N-methyl-5-nitro-2-N-(4-nitrophenyl)pyrimidine-2,4,6-triamine
CID 4677450
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-nitrophenyl)urea
CID 108885515

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol (CID 157167001) is 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol is Cc1nc(Nc2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O.Cc1nc(Nc2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O.
What is the InChIKey of 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol?
The InChIKey is ANAMRTUBSCTNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N3O3/c2*1-8-9(2)14(15-10(3)13(8)18)16-11-4-6-12(7-5-11)17(19)20/h2*4-7,18H,1-3H3,(H,15,16).
What are the key properties of 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol?
2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol has a molecular weight of 546.58 g/mol, XLogP of 6.73, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-(4-nitroanilino)pyridin-3-ol is sourced from PubChem (CID 157167001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).