5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea

C14H14ClN3O4 — CID 67212196

IUPAC5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea
SMILESCNC(N)=O.O=C(O)c1ncc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C12H8ClNO3.C2H6N2O/c13-9-3-1-2-7(4-9)8-5-10(15)11(12(16)17)14-6-8;1-4-2(3)5/h1-6,15H,(H,16,17);1H3,(H3,3,4,5)
InChIKeyYFMCLSONLXEUSG-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.09
Rot. Bonds2

About 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea

5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea (PubChem CID 67212196) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea
PubChem CID67212196
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC Name5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea
SMILESCNC(N)=O.O=C(O)c1ncc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C12H8ClNO3.C2H6N2O/c13-9-3-1-2-7(4-9)8-5-10(15)11(12(16)17)14-6-8;1-4-2(3)5/h1-6,15H,(H,16,17);1H3,(H3,3,4,5)
InChIKeyYFMCLSONLXEUSG-UHFFFAOYSA-N
XLogP2.09
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide
CID 59637256
1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione
CID 148501489
5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
CID 142369382
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
5-(2,4-dichlorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 133093044
5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid
CID 170210771
4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,N-dimethyl-4-oxobutanamide;4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 161264557
3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133092347
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
methyl 4-[3-chloro-5-(3-chlorophenyl)-2-pyridinyl]-4-oxobutanoate
CID 165046778
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea?
The IUPAC name of 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea (CID 67212196) is 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea.
What is the SMILES notation for 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea?
The canonical SMILES for 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea is CNC(N)=O.O=C(O)c1ncc(-c2cccc(Cl)c2)cc1O.
What is the InChIKey of 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea?
The InChIKey is YFMCLSONLXEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3.C2H6N2O/c13-9-3-1-2-7(4-9)8-5-10(15)11(12(16)17)14-6-8;1-4-2(3)5/h1-6,15H,(H,16,17);1H3,(H3,3,4,5).
What are the key properties of 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea?
5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea has a molecular weight of 323.74 g/mol, XLogP of 2.09, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea is sourced from PubChem (CID 67212196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).