methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane

C11H17N3O4 — CID 143984971

IUPACmethyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
SMILESCC(C)C.COC(=O)c1cnc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O4.C4H10/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-4(2)3/h2-3H,1H3,(H2,8,9);4H,1-3H3
InChIKeySKEXINHVTYPCMZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.02
Rot. Bonds2

About methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane

methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane (PubChem CID 143984971) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane.

Molecular Properties

Compound Namemethyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
PubChem CID143984971
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
SMILESCC(C)C.COC(=O)c1cnc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C7H7N3O4.C4H10/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-4(2)3/h2-3H,1H3,(H2,8,9);4H,1-3H3
InChIKeySKEXINHVTYPCMZ-UHFFFAOYSA-N
XLogP2.02
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl 6-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-5-nitropyridine-3-carboxylate
CID 118022689
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
methyl 6-(2-cyclopropylethynyl)-5-nitropyridine-3-carboxylate
CID 130268131
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 3-amino-4-bromo-5-nitrobenzoate
CID 11196615
methyl 6-[(2S)-1-methoxy-3-oxopropan-2-yl]oxy-5-nitropyridine-3-carboxylate
CID 90011530
methyl 6-(4-chlorophenyl)sulfanyl-5-nitropyridine-3-carboxylate
CID 2746870
methyl 6-[(3,5-difluorophenyl)methylamino]-5-nitropyridine-3-carboxylate
CID 24903377
(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
CID 169224427
methyl 3-amino-4-tert-butyl-5-nitrobenzoate
CID 4152950
methyl 6-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-5-nitropyridine-3-carboxylate
CID 168693362
methyl 6-(4-cyanoanilino)-5-nitropyridine-3-carboxylate
CID 156811028

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane?
The IUPAC name of methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane (CID 143984971) is methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane.
What is the SMILES notation for methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane?
The canonical SMILES for methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane is CC(C)C.COC(=O)c1cnc(N)c([N+](=O)[O-])c1.
What is the InChIKey of methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane?
The InChIKey is SKEXINHVTYPCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4.C4H10/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-4(2)3/h2-3H,1H3,(H2,8,9);4H,1-3H3.
What are the key properties of methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane?
methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane has a molecular weight of 255.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane is sourced from PubChem (CID 143984971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).