2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine

C10H12ClNO2 — CID 145142821

IUPAC2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine
SMILESC=C(OCC)c1cnc(Cl)cc1OC
InChIInChI=1S/C10H12ClNO2/c1-4-14-7(2)8-6-12-10(11)5-9(8)13-3/h5-6H,2,4H2,1,3H3
InChIKeyZXOJJEDLPIVMAI-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.75
Rot. Bonds4

About 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine

2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine (PubChem CID 145142821) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine.

Molecular Properties

Compound Name2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine
PubChem CID145142821
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine
SMILESC=C(OCC)c1cnc(Cl)cc1OC
InChIInChI=1S/C10H12ClNO2/c1-4-14-7(2)8-6-12-10(11)5-9(8)13-3/h5-6H,2,4H2,1,3H3
InChIKeyZXOJJEDLPIVMAI-UHFFFAOYSA-N
XLogP2.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(6-chloro-4-methoxy-3-pyridinyl)-3-oxopropanoate
CID 88921815
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone
CID 130729609
5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine
CID 165381018
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
(Z)-2-(6-chloro-4-methoxy-3-pyridinyl)-3-propan-2-yliminoprop-1-en-1-amine
CID 176871395
6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172609966
2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine
CID 144735710
ethyl 6-chloro-4-nitropyridine-3-carboxylate
CID 133097776
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxylic acid
CID 163391109
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine?
The IUPAC name of 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine (CID 145142821) is 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine.
What is the SMILES notation for 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine?
The canonical SMILES for 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine is C=C(OCC)c1cnc(Cl)cc1OC.
What is the InChIKey of 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine?
The InChIKey is ZXOJJEDLPIVMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-4-14-7(2)8-6-12-10(11)5-9(8)13-3/h5-6H,2,4H2,1,3H3.
What are the key properties of 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine?
2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine has a molecular weight of 213.66 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine is sourced from PubChem (CID 145142821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).