ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate

C17H18ClNO2 — CID 116533326

IUPACethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(Cl)c2)nc1C(C)C
InChIInChI=1S/C17H18ClNO2/c1-4-21-17(20)14-8-9-15(19-16(14)11(2)3)12-6-5-7-13(18)10-12/h5-11H,4H2,1-3H3
InChIKeyMFXKCOXLZLAWCE-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.70
Rot. Bonds4

About ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate

ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate (PubChem CID 116533326) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
PubChem CID116533326
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Nameethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(Cl)c2)nc1C(C)C
InChIInChI=1S/C17H18ClNO2/c1-4-21-17(20)14-8-9-15(19-16(14)11(2)3)12-6-5-7-13(18)10-12/h5-11H,4H2,1-3H3
InChIKeyMFXKCOXLZLAWCE-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010
methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate
CID 134280354
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
CID 121205199
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
CID 116532839
ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate
CID 116533369
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate (CID 116533326) is ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccc(Cl)c2)nc1C(C)C.
What is the InChIKey of ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate?
The InChIKey is MFXKCOXLZLAWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-4-21-17(20)14-8-9-15(19-16(14)11(2)3)12-6-5-7-13(18)10-12/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate?
ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate has a molecular weight of 303.79 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 116533326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).