methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate

C16H18N2O4 — CID 68938598

IUPACmethyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2[N+](=O)[O-])C=C(C)N(C)C(C)=C1
InChIInChI=1S/C16H18N2O4/c1-11-9-16(15(19)22-4,10-12(2)17(11)3)13-7-5-6-8-14(13)18(20)21/h5-10H,1-4H3
InChIKeyRCGGCSSPNOXVKI-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.76
Rot. Bonds3

About methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate

methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate (PubChem CID 68938598) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate
PubChem CID68938598
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namemethyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2[N+](=O)[O-])C=C(C)N(C)C(C)=C1
InChIInChI=1S/C16H18N2O4/c1-11-9-16(15(19)22-4,10-12(2)17(11)3)13-7-5-6-8-14(13)18(20)21/h5-10H,1-4H3
InChIKeyRCGGCSSPNOXVKI-UHFFFAOYSA-N
XLogP2.76
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
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

trans-2-O-ethyl 1-O-methyl (1R,2R)-1-(2-nitrophenyl)cyclopropane-1,2-dicarboxylate
CID 102153179
methyl (3R,5R)-2-methyl-5-(2-nitrophenyl)-3-phenyl-1,2-oxazolidine-5-carboxylate
CID 24757626
2-(hydroxymethyl)-1,4,6-trimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylic acid
CID 57014684
methyl 7-(2-nitrobenzoyl)-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 20825299
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
methyl 2-(2-nitrophenyl)acetate
CID 520464
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-methyl-3-nitrobenzoate
CID 3900692
[5-methoxycarbonyloxy-2,6-dimethyl-4-(2-nitrophenyl)-1H-pyrazin-3-yl] methyl carbonate
CID 70493581
methyl 1,3,6-trimethyl-4-(2-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylate
CID 45103668
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate
CID 164745403
methyl 3-methyl-8-(2-nitrophenyl)-4-(trifluoromethyl)-3-azabicyclo[4.2.0]octa-1(8),5-diene-4-carboxylate
CID 54768553

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate (CID 68938598) is methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate is COC(=O)C1(c2ccccc2[N+](=O)[O-])C=C(C)N(C)C(C)=C1.
What is the InChIKey of methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate?
The InChIKey is RCGGCSSPNOXVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-9-16(15(19)22-4,10-12(2)17(11)3)13-7-5-6-8-14(13)18(20)21/h5-10H,1-4H3.
What are the key properties of methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate?
methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,6-trimethyl-4-(2-nitrophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 68938598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).