methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate

C17H18ClNO2 — CID 59678159

IUPACmethyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
SMILESCCc1cccc(CC)c1-c1cc(Cl)c(C(=O)OC)cn1
InChIInChI=1S/C17H18ClNO2/c1-4-11-7-6-8-12(5-2)16(11)15-9-14(18)13(10-19-15)17(20)21-3/h6-10H,4-5H2,1-3H3
InChIKeyFDZWFZPIFSAHPP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.31
Rot. Bonds4

About methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate

methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate (PubChem CID 59678159) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
PubChem CID59678159
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namemethyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
SMILESCCc1cccc(CC)c1-c1cc(Cl)c(C(=O)OC)cn1
InChIInChI=1S/C17H18ClNO2/c1-4-11-7-6-8-12(5-2)16(11)15-9-14(18)13(10-19-15)17(20)21-3/h6-10H,4-5H2,1-3H3
InChIKeyFDZWFZPIFSAHPP-UHFFFAOYSA-N
XLogP4.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
methyl 4-bromo-2-chloro-5-ethylbenzoate
CID 130064473
5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994791
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl 8-ethylquinoline-4-carboxylate
CID 102941710
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate
CID 89396743
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
CID 166162954
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
CID 91882394

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate (CID 59678159) is methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate is CCc1cccc(CC)c1-c1cc(Cl)c(C(=O)OC)cn1.
What is the InChIKey of methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate?
The InChIKey is FDZWFZPIFSAHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-4-11-7-6-8-12(5-2)16(11)15-9-14(18)13(10-19-15)17(20)21-3/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate?
methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate has a molecular weight of 303.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 59678159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).