2,6-dimethyl-5-nitropyridine-3,4-diamine

C7H10N4O2 — CID 18715461

IUPAC2,6-dimethyl-5-nitropyridine-3,4-diamine
SMILESCc1nc(C)c([N+](=O)[O-])c(N)c1N
InChIInChI=1S/C7H10N4O2/c1-3-5(8)6(9)7(11(12)13)4(2)10-3/h8H2,1-2H3,(H2,9,10)
InChIKeyDDKHENCPAHTJLC-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.77
Rot. Bonds1

About 2,6-dimethyl-5-nitropyridine-3,4-diamine

2,6-dimethyl-5-nitropyridine-3,4-diamine (PubChem CID 18715461) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,6-dimethyl-5-nitropyridine-3,4-diamine.

Molecular Properties

Compound Name2,6-dimethyl-5-nitropyridine-3,4-diamine
PubChem CID18715461
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2,6-dimethyl-5-nitropyridine-3,4-diamine
SMILESCc1nc(C)c([N+](=O)[O-])c(N)c1N
InChIInChI=1S/C7H10N4O2/c1-3-5(8)6(9)7(11(12)13)4(2)10-3/h8H2,1-2H3,(H2,9,10)
InChIKeyDDKHENCPAHTJLC-UHFFFAOYSA-N
XLogP0.77
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.77
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'}

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Related Compounds

2,6-dimethylpyridine-3,4,5-triamine
CID 21436310
1-[4-(3-amino-2,6-dimethyl-5-nitro-4-pyridinyl)phenyl]ethanone
CID 169087250
2,3,5,6-tetranitrobenzene-1,4-diamine
CID 14921108
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
4-amino-6-methyl-5-nitropyridine-2-carbonitrile
CID 164544737
1,4,6-trimethyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 5299649
2-amino-5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 537534
6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
CID 54420031
4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
CID 25421423
5-amino-4,7-dimethyl-6-nitroisoindole-1,3-dione
CID 59761847
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
4-amino-2-cycloheptyl-6-methyl-5-nitropyridazin-3-one
CID 71470180

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-nitropyridine-3,4-diamine?
The IUPAC name of 2,6-dimethyl-5-nitropyridine-3,4-diamine (CID 18715461) is 2,6-dimethyl-5-nitropyridine-3,4-diamine.
What is the SMILES notation for 2,6-dimethyl-5-nitropyridine-3,4-diamine?
The canonical SMILES for 2,6-dimethyl-5-nitropyridine-3,4-diamine is Cc1nc(C)c([N+](=O)[O-])c(N)c1N.
What is the InChIKey of 2,6-dimethyl-5-nitropyridine-3,4-diamine?
The InChIKey is DDKHENCPAHTJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-3-5(8)6(9)7(11(12)13)4(2)10-3/h8H2,1-2H3,(H2,9,10).
What are the key properties of 2,6-dimethyl-5-nitropyridine-3,4-diamine?
2,6-dimethyl-5-nitropyridine-3,4-diamine has a molecular weight of 182.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-nitropyridine-3,4-diamine is sourced from PubChem (CID 18715461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).