2-nitro-6-pentylpyridine

C10H14N2O2 — CID 141164963

IUPAC2-nitro-6-pentylpyridine
SMILESCCCCCc1cccc([N+](=O)[O-])n1
InChIInChI=1S/C10H14N2O2/c1-2-3-4-6-9-7-5-8-10(11-9)12(13)14/h5,7-8H,2-4,6H2,1H3
InChIKeyUIAHYAKUIJUOHD-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.72
Rot. Bonds5

About 2-nitro-6-pentylpyridine

2-nitro-6-pentylpyridine (PubChem CID 141164963) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-nitro-6-pentylpyridine.

Molecular Properties

Compound Name2-nitro-6-pentylpyridine
PubChem CID141164963
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-nitro-6-pentylpyridine
SMILESCCCCCc1cccc([N+](=O)[O-])n1
InChIInChI=1S/C10H14N2O2/c1-2-3-4-6-9-7-5-8-10(11-9)12(13)14/h5,7-8H,2-4,6H2,1H3
InChIKeyUIAHYAKUIJUOHD-UHFFFAOYSA-N
XLogP2.72
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,6-dipentylpyridine
CID 58097448
2,6-didodecylpyridine
CID 90943274
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
2-chloro-6-pentylpyridine
CID 14570984
2-hexylpyridine;nitric acid
CID 174876958
1-ethyl-2-nitro-3-pentylbenzene
CID 139904713
6-nitro-2-octylquinoxaline
CID 139992057
(6-butyl-2-pyridinyl)methanamine
CID 67813294
1-nitro-2-propan-2-yl-3-tridecylbenzene
CID 154364916
tris(6-butyl-2-pyridinyl)phosphane
CID 54182006
3-bromo-1-[(6-butyl-2-pyridinyl)methyl]-4-nitroindazole
CID 174692778

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-pentylpyridine?
The IUPAC name of 2-nitro-6-pentylpyridine (CID 141164963) is 2-nitro-6-pentylpyridine.
What is the SMILES notation for 2-nitro-6-pentylpyridine?
The canonical SMILES for 2-nitro-6-pentylpyridine is CCCCCc1cccc([N+](=O)[O-])n1.
What is the InChIKey of 2-nitro-6-pentylpyridine?
The InChIKey is UIAHYAKUIJUOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-3-4-6-9-7-5-8-10(11-9)12(13)14/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-nitro-6-pentylpyridine?
2-nitro-6-pentylpyridine has a molecular weight of 194.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-pentylpyridine is sourced from PubChem (CID 141164963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).