2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid

C8H7Cl2NO3 — CID 21288449

IUPAC2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-8(14,7(12)13)6-5(10)2-4(9)3-11-6/h2-3,14H,1H3,(H,12,13)
InChIKeyYHLIJUDVGZAMIG-UHFFFAOYSA-N
MW236.05 g/mol
LogP1.68
Rot. Bonds2

About 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid

2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid (PubChem CID 21288449) has the molecular formula C8H7Cl2NO3 and a molecular weight of 236.05 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid
PubChem CID21288449
Molecular FormulaC8H7Cl2NO3
Molecular Weight236.05 g/mol
Exact Mass234.98
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-8(14,7(12)13)6-5(10)2-4(9)3-11-6/h2-3,14H,1H3,(H,12,13)
InChIKeyYHLIJUDVGZAMIG-UHFFFAOYSA-N
XLogP1.68
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-2-pyridinyl)propan-2-amine
CID 130160714
(2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid
CID 130865698
dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate
CID 139081158
2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol
CID 84670350
2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid
CID 170918339
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one
CID 165067563
2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
CID 104643883
2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 82143426
2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118830549
1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
CID 27161092
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
CID 61186056

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid (CID 21288449) is 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid is CC(O)(C(=O)O)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid?
The InChIKey is YHLIJUDVGZAMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3/c1-8(14,7(12)13)6-5(10)2-4(9)3-11-6/h2-3,14H,1H3,(H,12,13).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid?
2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid has a molecular weight of 236.05 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 21288449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).