2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde

C9H8ClNO2 — CID 154575009

IUPAC2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde
SMILESC=CCOc1cnc(Cl)cc1C=O
InChIInChI=1S/C9H8ClNO2/c1-2-3-13-8-5-11-9(10)4-7(8)6-12/h2,4-6H,1,3H2
InChIKeyGVGGOKQLQXMCNM-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.11
Rot. Bonds4

About 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde

2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde (PubChem CID 154575009) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde
PubChem CID154575009
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde
SMILESC=CCOc1cnc(Cl)cc1C=O
InChIInChI=1S/C9H8ClNO2/c1-2-3-13-8-5-11-9(10)4-7(8)6-12/h2,4-6H,1,3H2
InChIKeyGVGGOKQLQXMCNM-UHFFFAOYSA-N
XLogP2.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
CID 131167977
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
3-ethenyl-4-prop-2-enoxybenzaldehyde
CID 134858679
6-chloro-5-ethenylpyridine-3-carbaldehyde
CID 89205442
3,5-bis(prop-2-enoxy)pyridine
CID 18761920
4-chloro-2-methyl-6-prop-2-enoxypyrimidine
CID 62482106
6-chloro-4-ethenylpyridin-3-ol
CID 74892695
2-chloro-5-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 119008873
2-(3-chloroprop-2-enoxy)-5-methylbenzaldehyde
CID 77011402
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbaldehyde
CID 75487332
2-fluoro-5-prop-2-enoxybenzaldehyde
CID 155393023

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde (CID 154575009) is 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde is C=CCOc1cnc(Cl)cc1C=O.
What is the InChIKey of 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde?
The InChIKey is GVGGOKQLQXMCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-2-3-13-8-5-11-9(10)4-7(8)6-12/h2,4-6H,1,3H2.
What are the key properties of 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde?
2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde has a molecular weight of 197.62 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-prop-2-enoxypyridine-4-carbaldehyde is sourced from PubChem (CID 154575009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).