2-chloro-3-nitro-4-propoxypyridine

C8H9ClN2O3 — CID 160997420

IUPAC2-chloro-3-nitro-4-propoxypyridine
SMILESCCCOc1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O3/c1-2-5-14-6-3-4-10-8(9)7(6)11(12)13/h3-4H,2,5H2,1H3
InChIKeyZVDAAJKVIMSVKD-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-3-nitro-4-propoxypyridine

2-chloro-3-nitro-4-propoxypyridine (PubChem CID 160997420) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-chloro-3-nitro-4-propoxypyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-4-propoxypyridine
PubChem CID160997420
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-chloro-3-nitro-4-propoxypyridine
SMILESCCCOc1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O3/c1-2-5-14-6-3-4-10-8(9)7(6)11(12)13/h3-4H,2,5H2,1H3
InChIKeyZVDAAJKVIMSVKD-UHFFFAOYSA-N
XLogP2.43
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 52.43
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

3-nitro-4-pentoxypyridin-2-amine
CID 67636767
diethyl 2-(2-chloro-3-nitro-4-pyridinyl)propanedioate
CID 139679093
2-chloro-N-(2-methoxyethyl)-3-nitropyridin-4-amine
CID 87404808
2-chloro-N-methoxy-3-nitro-N-propylpyridine-4-carboxamide
CID 114277069
2-nitro-1,3-dioctoxybenzene
CID 537243
2,4-dichloro-5-ethyl-3-nitropyridine
CID 112757232
ethyl 2-[(2-chloro-3-nitro-4-pyridinyl)amino]acetate
CID 142740113
4-chloro-6-heptoxy-5-nitropyrimidine
CID 62101502
4-bromo-2-nitro-1-propoxybenzene
CID 61373992
2-(2-nitro-3-propoxyphenyl)propanoic acid
CID 104571153
potassium (E)-1-(2-chloro-3-nitro-4-pyridinyl)-3-ethoxy-3-oxoprop-1-en-2-olate
CID 87899174
2-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 113429004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-4-propoxypyridine?
The IUPAC name of 2-chloro-3-nitro-4-propoxypyridine (CID 160997420) is 2-chloro-3-nitro-4-propoxypyridine.
What is the SMILES notation for 2-chloro-3-nitro-4-propoxypyridine?
The canonical SMILES for 2-chloro-3-nitro-4-propoxypyridine is CCCOc1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-3-nitro-4-propoxypyridine?
The InChIKey is ZVDAAJKVIMSVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-2-5-14-6-3-4-10-8(9)7(6)11(12)13/h3-4H,2,5H2,1H3.
What are the key properties of 2-chloro-3-nitro-4-propoxypyridine?
2-chloro-3-nitro-4-propoxypyridine has a molecular weight of 216.62 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-4-propoxypyridine is sourced from PubChem (CID 160997420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).