5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid

C11H7Cl2NO4 — CID 82146582

IUPAC5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cc(Cl)cc(Cl)c2=O)o1
InChIInChI=1S/C11H7Cl2NO4/c12-6-3-8(13)10(15)14(4-6)5-7-1-2-9(18-7)11(16)17/h1-4H,5H2,(H,16,17)
InChIKeyPHMNGRRNTJVUJV-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.49
Rot. Bonds3

About 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid

5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid (PubChem CID 82146582) has the molecular formula C11H7Cl2NO4 and a molecular weight of 288.09 g/mol. Its IUPAC name is 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
PubChem CID82146582
Molecular FormulaC11H7Cl2NO4
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Name5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cc(Cl)cc(Cl)c2=O)o1
InChIInChI=1S/C11H7Cl2NO4/c12-6-3-8(13)10(15)14(4-6)5-7-1-2-9(18-7)11(16)17/h1-4H,5H2,(H,16,17)
InChIKeyPHMNGRRNTJVUJV-UHFFFAOYSA-N
XLogP2.49
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid
CID 43163558
5-[(2,4-dichlorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 20992418
5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 79994265
5-[(5-nitro-2,4-dioxopyrimidin-1-yl)methyl]furan-2-carboxylic acid
CID 63799571
5-[[5-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaenyl)-2-oxo-4-sulfanylidenepyrimidin-1-yl]methyl]furan-2-carboxylic acid
CID 22117247
5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 28824082
5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 2764356
5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide
CID 63578349
5-[(2,4-dichlorophenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122705
5-[(3,5-dioxomorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61313696
5-[(6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 62851184
5-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic acid
CID 43329880

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid (CID 82146582) is 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2cc(Cl)cc(Cl)c2=O)o1.
What is the InChIKey of 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid?
The InChIKey is PHMNGRRNTJVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO4/c12-6-3-8(13)10(15)14(4-6)5-7-1-2-9(18-7)11(16)17/h1-4H,5H2,(H,16,17).
What are the key properties of 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid?
5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid has a molecular weight of 288.09 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 82146582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).