2-azido-3,5-dimethyl-4-nitropyridine

C7H7N5O2 — CID 58758112

IUPAC2-azido-3,5-dimethyl-4-nitropyridine
SMILESCc1cnc(N=[N+]=[N-])c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N5O2/c1-4-3-9-7(10-11-8)5(2)6(4)12(13)14/h3H,1-2H3
InChIKeyZCXPMYGQNNVOAF-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.55
Rot. Bonds2

About 2-azido-3,5-dimethyl-4-nitropyridine

2-azido-3,5-dimethyl-4-nitropyridine (PubChem CID 58758112) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-azido-3,5-dimethyl-4-nitropyridine.

Molecular Properties

Compound Name2-azido-3,5-dimethyl-4-nitropyridine
PubChem CID58758112
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-azido-3,5-dimethyl-4-nitropyridine
SMILESCc1cnc(N=[N+]=[N-])c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N5O2/c1-4-3-9-7(10-11-8)5(2)6(4)12(13)14/h3H,1-2H3
InChIKeyZCXPMYGQNNVOAF-UHFFFAOYSA-N
XLogP2.55
TPSA104.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;2,3,5-trimethyl-4-nitropyridine
CID 175754992
2-(chloromethyl)-3,5-dimethyl-4-nitropyridine;hydrate;hydrochloride
CID 141317816
2-azido-1,5-dibromo-3-methyl-4-nitrobenzene
CID 169325406
2-(3,5-dimethyl-4-nitro-2-pyridinyl)acetic acid
CID 103185934
5-azido-1,3-dimethyl-4-nitropyrazole
CID 80583648
2-methoxy-4,5-dimethyl-3-nitropyridine
CID 118881791
2-(3-chlorobutyl)-3,5-dimethyl-4-nitropyridine
CID 103182406
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-1-methoxypropan-2-amine
CID 103185419
1-(3,5-dimethyl-4-nitro-2-pyridinyl)-4-methylpentan-3-ol
CID 103182326
3-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pentan-2-ol
CID 103182311
4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine
CID 103186137
1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine
CID 103186135

Frequently Asked Questions

What is the IUPAC name of 2-azido-3,5-dimethyl-4-nitropyridine?
The IUPAC name of 2-azido-3,5-dimethyl-4-nitropyridine (CID 58758112) is 2-azido-3,5-dimethyl-4-nitropyridine.
What is the SMILES notation for 2-azido-3,5-dimethyl-4-nitropyridine?
The canonical SMILES for 2-azido-3,5-dimethyl-4-nitropyridine is Cc1cnc(N=[N+]=[N-])c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-azido-3,5-dimethyl-4-nitropyridine?
The InChIKey is ZCXPMYGQNNVOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-4-3-9-7(10-11-8)5(2)6(4)12(13)14/h3H,1-2H3.
What are the key properties of 2-azido-3,5-dimethyl-4-nitropyridine?
2-azido-3,5-dimethyl-4-nitropyridine has a molecular weight of 193.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3,5-dimethyl-4-nitropyridine is sourced from PubChem (CID 58758112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).