2-ethynyl-6-nitropyridine

C7H4N2O2 — CID 74787715

IUPAC2-ethynyl-6-nitropyridine
SMILESC#Cc1cccc([N+](=O)[O-])n1
InChIInChI=1S/C7H4N2O2/c1-2-6-4-3-5-7(8-6)9(10)11/h1,3-5H
InChIKeyAHYPNMZQCVKNSS-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.97
Rot. Bonds1

About 2-ethynyl-6-nitropyridine

2-ethynyl-6-nitropyridine (PubChem CID 74787715) has the molecular formula C7H4N2O2 and a molecular weight of 148.12 g/mol. Its IUPAC name is 2-ethynyl-6-nitropyridine.

Molecular Properties

Compound Name2-ethynyl-6-nitropyridine
PubChem CID74787715
Molecular FormulaC7H4N2O2
Molecular Weight148.12 g/mol
Exact Mass148.03
IUPAC Name2-ethynyl-6-nitropyridine
SMILESC#Cc1cccc([N+](=O)[O-])n1
InChIInChI=1S/C7H4N2O2/c1-2-6-4-3-5-7(8-6)9(10)11/h1,3-5H
InChIKeyAHYPNMZQCVKNSS-UHFFFAOYSA-N
XLogP0.97
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-6-(trifluoromethoxy)pyridine
CID 130088847
2-methoxy-6-nitropyridine
CID 69112331
2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine
CID 54012086
2-ethynyl-1,3-dinitrobenzene
CID 174667874
2-ethynyl-6-nitroaniline
CID 129104690
2-amino-6-nitropyridine-3-carbonitrile
CID 119001110
2-(6-ethynyl-2-pyridinyl)acetic acid
CID 74892598
2-(6-ethynyl-2-pyridinyl)ethanol
CID 74892564
6-nitro-3-phenylpyridin-2-amine
CID 119007149
1-(6-nitro-2-pyridinyl)piperazine;hydrochloride
CID 139269965
N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine
CID 90426708
3-ethynyl-2-nitropyridine
CID 57416834

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-6-nitropyridine?
The IUPAC name of 2-ethynyl-6-nitropyridine (CID 74787715) is 2-ethynyl-6-nitropyridine.
What is the SMILES notation for 2-ethynyl-6-nitropyridine?
The canonical SMILES for 2-ethynyl-6-nitropyridine is C#Cc1cccc([N+](=O)[O-])n1.
What is the InChIKey of 2-ethynyl-6-nitropyridine?
The InChIKey is AHYPNMZQCVKNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2/c1-2-6-4-3-5-7(8-6)9(10)11/h1,3-5H.
What are the key properties of 2-ethynyl-6-nitropyridine?
2-ethynyl-6-nitropyridine has a molecular weight of 148.12 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-6-nitropyridine is sourced from PubChem (CID 74787715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).