propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate

C15H14Cl2N2O3 — CID 146137285

IUPACpropan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccn(Cc2c(Cl)cncc2Cl)c(=O)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-9(2)22-15(21)10-3-4-19(14(20)5-10)8-11-12(16)6-18-7-13(11)17/h3-7,9H,8H2,1-2H3
InChIKeyHJZHZJZYIZZVKO-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.16
Rot. Bonds4

About propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate

propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate (PubChem CID 146137285) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate
PubChem CID146137285
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Namepropan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccn(Cc2c(Cl)cncc2Cl)c(=O)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-9(2)22-15(21)10-3-4-19(14(20)5-10)8-11-12(16)6-18-7-13(11)17/h3-7,9H,8H2,1-2H3
InChIKeyHJZHZJZYIZZVKO-UHFFFAOYSA-N
XLogP3.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
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(1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate?
The IUPAC name of propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate (CID 146137285) is propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate is CC(C)OC(=O)c1ccn(Cc2c(Cl)cncc2Cl)c(=O)c1.
What is the InChIKey of propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate?
The InChIKey is HJZHZJZYIZZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-9(2)22-15(21)10-3-4-19(14(20)5-10)8-11-12(16)6-18-7-13(11)17/h3-7,9H,8H2,1-2H3.
What are the key properties of propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate?
propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate has a molecular weight of 341.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[(3,5-dichloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 146137285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).