methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate

C11H12ClNO3 — CID 156504079

IUPACmethyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate
SMILESCCO/C=C/c1cnc(Cl)cc1C(=O)OC
InChIInChI=1S/C11H12ClNO3/c1-3-16-5-4-8-7-13-10(12)6-9(8)11(14)15-2/h4-7H,3H2,1-2H3/b5-4+
InChIKeyDRJYPFWDZDDYIK-SNAWJCMRSA-N
MW241.67 g/mol
LogP2.53
Rot. Bonds4

About methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate

methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate (PubChem CID 156504079) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate
PubChem CID156504079
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namemethyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate
SMILESCCO/C=C/c1cnc(Cl)cc1C(=O)OC
InChIInChI=1S/C11H12ClNO3/c1-3-16-5-4-8-7-13-10(12)6-9(8)11(14)15-2/h4-7H,3H2,1-2H3/b5-4+
InChIKeyDRJYPFWDZDDYIK-SNAWJCMRSA-N
XLogP2.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl 2-[(E)-2-ethoxyethenyl]benzoate
CID 146567603
methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
CID 173129747
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
(tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol
CID 167278323
methyl 2-[(E)-2-ethoxyethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 178177095
2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
CID 11287109
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
methyl 2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133054057
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
3-(6-chloro-5-methoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460837
3-[[2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-yl]amino]propanamide
CID 87563176

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate (CID 156504079) is methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate is CCO/C=C/c1cnc(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate?
The InChIKey is DRJYPFWDZDDYIK-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-3-16-5-4-8-7-13-10(12)6-9(8)11(14)15-2/h4-7H,3H2,1-2H3/b5-4+.
What are the key properties of methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate?
methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate has a molecular weight of 241.67 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate is sourced from PubChem (CID 156504079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).