propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate

C16H14Cl3NO3 — CID 2764895

IUPACpropan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl3NO3/c1-9(2)23-16(22)11-5-14(19)15(21)20(8-11)7-10-3-4-12(17)6-13(10)18/h3-6,8-9H,7H2,1-2H3
InChIKeyVVZWXZWTXUVJDC-UHFFFAOYSA-N
MW374.65 g/mol
LogP4.42
Rot. Bonds4

About propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate

propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate (PubChem CID 2764895) has the molecular formula C16H14Cl3NO3 and a molecular weight of 374.65 g/mol. Its IUPAC name is propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
PubChem CID2764895
Molecular FormulaC16H14Cl3NO3
Molecular Weight374.65 g/mol
Exact Mass373.00
IUPAC Namepropan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl3NO3/c1-9(2)23-16(22)11-5-14(19)15(21)20(8-11)7-10-3-4-12(17)6-13(10)18/h3-6,8-9H,7H2,1-2H3
InChIKeyVVZWXZWTXUVJDC-UHFFFAOYSA-N
XLogP4.42
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.65
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate (CID 2764895) is propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate is CC(C)OC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is VVZWXZWTXUVJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO3/c1-9(2)23-16(22)11-5-14(19)15(21)20(8-11)7-10-3-4-12(17)6-13(10)18/h3-6,8-9H,7H2,1-2H3.
What are the key properties of propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate?
propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 374.65 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 2764895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).