ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

C15H14BrNO4 — CID 134458468

IUPACethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(Cc2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C15H14BrNO4/c1-2-21-15(20)13-12(18)8-11(17-14(13)19)7-9-3-5-10(16)6-4-9/h3-6,8H,2,7H2,1H3,(H2,17,18,19)
InChIKeyICVMBPTUHGHHBT-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.61
Rot. Bonds4

About ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 134458468) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID134458468
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Nameethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(Cc2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C15H14BrNO4/c1-2-21-15(20)13-12(18)8-11(17-14(13)19)7-9-3-5-10(16)6-4-9/h3-6,8H,2,7H2,1H3,(H2,17,18,19)
InChIKeyICVMBPTUHGHHBT-UHFFFAOYSA-N
XLogP2.61
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (CID 134458468) is ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)cc(Cc2ccc(Br)cc2)[nH]c1=O.
What is the InChIKey of ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ICVMBPTUHGHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-2-21-15(20)13-12(18)8-11(17-14(13)19)7-9-3-5-10(16)6-4-9/h3-6,8H,2,7H2,1H3,(H2,17,18,19).
What are the key properties of ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 352.18 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-bromophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 134458468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).