methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate

C19H22ClNO3 — CID 142088601

IUPACmethyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate
SMILESC=C1C(CCc2cccc(OC)c2C(=O)OC)=C(Cl)C=C(C)N1C
InChIInChI=1S/C19H22ClNO3/c1-12-11-16(20)15(13(2)21(12)3)10-9-14-7-6-8-17(23-4)18(14)19(22)24-5/h6-8,11H,2,9-10H2,1,3-5H3
InChIKeyYKLHQVZLWNFPRO-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.27
Rot. Bonds5

About methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate

methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate (PubChem CID 142088601) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate
PubChem CID142088601
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Namemethyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate
SMILESC=C1C(CCc2cccc(OC)c2C(=O)OC)=C(Cl)C=C(C)N1C
InChIInChI=1S/C19H22ClNO3/c1-12-11-16(20)15(13(2)21(12)3)10-9-14-7-6-8-17(23-4)18(14)19(22)24-5/h6-8,11H,2,9-10H2,1,3-5H3
InChIKeyYKLHQVZLWNFPRO-UHFFFAOYSA-N
XLogP4.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate with MolForge

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Related Compounds

methyl 2-[3-(4-chlorophenyl)propyl]-6-methoxybenzoate
CID 46735303
methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
CID 46735306
8-(3-methoxy-2-methoxycarbonylphenyl)octanoic acid
CID 133052556
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
CID 595445
methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate
CID 23258118
methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate
CID 46735461
ethyl 2-methoxy-6-pentylbenzoate
CID 15433169
methyl 2-chloro-6-(3-chloropropyl)benzoate
CID 134649012
methyl 2-formyl-6-methoxybenzoate
CID 12730360
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
ethyl 2-(2-cyanoethyl)-6-methoxybenzoate
CID 134641955
methyl 2-iodo-6-methoxybenzoate
CID 91882308

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate?
The IUPAC name of methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate (CID 142088601) is methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate is C=C1C(CCc2cccc(OC)c2C(=O)OC)=C(Cl)C=C(C)N1C.
What is the InChIKey of methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate?
The InChIKey is YKLHQVZLWNFPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-12-11-16(20)15(13(2)21(12)3)10-9-14-7-6-8-17(23-4)18(14)19(22)24-5/h6-8,11H,2,9-10H2,1,3-5H3.
What are the key properties of methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate?
methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate has a molecular weight of 347.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chloro-1,6-dimethyl-2-methylidene-3-pyridinyl)ethyl]-6-methoxybenzoate is sourced from PubChem (CID 142088601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).