2-chloro-4-cyclopentyloxy-5-nitropyridine

C10H11ClN2O3 — CID 170737664

IUPAC2-chloro-4-cyclopentyloxy-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Cl)cc1OC1CCCC1
InChIInChI=1S/C10H11ClN2O3/c11-10-5-9(8(6-12-10)13(14)15)16-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyCYEQDNJTVPGCCR-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-4-cyclopentyloxy-5-nitropyridine

2-chloro-4-cyclopentyloxy-5-nitropyridine (PubChem CID 170737664) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-chloro-4-cyclopentyloxy-5-nitropyridine.

Molecular Properties

Compound Name2-chloro-4-cyclopentyloxy-5-nitropyridine
PubChem CID170737664
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-chloro-4-cyclopentyloxy-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Cl)cc1OC1CCCC1
InChIInChI=1S/C10H11ClN2O3/c11-10-5-9(8(6-12-10)13(14)15)16-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyCYEQDNJTVPGCCR-UHFFFAOYSA-N
XLogP2.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine
CID 88936641
5-cyclopentyloxy-2,4-dinitrophenol
CID 139703889
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
2-chloro-5-nitro-4-phenoxypyridine
CID 91620332
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine
CID 106750141
2-cyclobutylethyl 2-chloro-5-nitropyridine-4-carboxylate
CID 106206631
[5-(bromomethyl)-2-nitrophenoxy]cycloheptane
CID 82928233
methyl 2-[(2-chloro-5-nitro-4-pyridinyl)oxy]acetate
CID 118278448
2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene
CID 166538432
4-bromo-1-cyclobutyloxy-2-nitrobenzene
CID 62141791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopentyloxy-5-nitropyridine?
The IUPAC name of 2-chloro-4-cyclopentyloxy-5-nitropyridine (CID 170737664) is 2-chloro-4-cyclopentyloxy-5-nitropyridine.
What is the SMILES notation for 2-chloro-4-cyclopentyloxy-5-nitropyridine?
The canonical SMILES for 2-chloro-4-cyclopentyloxy-5-nitropyridine is O=[N+]([O-])c1cnc(Cl)cc1OC1CCCC1.
What is the InChIKey of 2-chloro-4-cyclopentyloxy-5-nitropyridine?
The InChIKey is CYEQDNJTVPGCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-10-5-9(8(6-12-10)13(14)15)16-7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 2-chloro-4-cyclopentyloxy-5-nitropyridine?
2-chloro-4-cyclopentyloxy-5-nitropyridine has a molecular weight of 242.66 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopentyloxy-5-nitropyridine is sourced from PubChem (CID 170737664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).