2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine

C14H20N2O4 — CID 167795124

IUPAC2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine
SMILESCc1cc(OCCCC2CCOC2)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-10-8-13(15-11(2)14(10)16(17)18)20-6-3-4-12-5-7-19-9-12/h8,12H,3-7,9H2,1-2H3
InChIKeyNMQVYLAADMTCQF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.80
Rot. Bonds6

About 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine

2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine (PubChem CID 167795124) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine.

Molecular Properties

Compound Name2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine
PubChem CID167795124
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine
SMILESCc1cc(OCCCC2CCOC2)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-10-8-13(15-11(2)14(10)16(17)18)20-6-3-4-12-5-7-19-9-12/h8,12H,3-7,9H2,1-2H3
InChIKeyNMQVYLAADMTCQF-UHFFFAOYSA-N
XLogP2.80
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-[3-(3,4-dimethylphenoxy)propyl]oxane
CID 165029250
5-methyl-4-nitro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 83269750
5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114131309
1-(3-methyl-2-nitrophenyl)-4-[[(3R)-oxolan-3-yl]methoxy]piperidine
CID 100641385
1-(3-methyl-2-nitrophenyl)-4-[[(3S)-oxolan-3-yl]methoxy]piperidine
CID 100641373
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(oxolan-3-ylmethoxy)piperidine
CID 133453053
3-methyl-5-nitro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
CID 133453194
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
3-[2-(4-ethyl-2-nitrophenyl)ethyl]oxolane
CID 161340759
2-fluoro-5-methoxy-4-nitro-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]aniline
CID 97063282
1-methyl-4-nitro-5-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)pyrazole
CID 170591706
4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
CID 106207578

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine?
The IUPAC name of 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine (CID 167795124) is 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine.
What is the SMILES notation for 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine?
The canonical SMILES for 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine is Cc1cc(OCCCC2CCOC2)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine?
The InChIKey is NMQVYLAADMTCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-8-13(15-11(2)14(10)16(17)18)20-6-3-4-12-5-7-19-9-12/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine?
2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine has a molecular weight of 280.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-nitro-6-[3-(oxolan-3-yl)propoxy]pyridine is sourced from PubChem (CID 167795124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).