2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid

C7H6ClNO3 — CID 119006519

IUPAC2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(O)cnc1Cl
InChIInChI=1S/C7H6ClNO3/c8-7-4(2-6(11)12)1-5(10)3-9-7/h1,3,10H,2H2,(H,11,12)
InChIKeyPKYNYZRDPDWPTM-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.07
Rot. Bonds2

About 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid

2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid (PubChem CID 119006519) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid
PubChem CID119006519
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(O)cnc1Cl
InChIInChI=1S/C7H6ClNO3/c8-7-4(2-6(11)12)1-5(10)3-9-7/h1,3,10H,2H2,(H,11,12)
InChIKeyPKYNYZRDPDWPTM-UHFFFAOYSA-N
XLogP1.07
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid
CID 162738083
2-(5-bromo-2-chloro-3-pyridinyl)acetamide
CID 131075466
2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide
CID 10655673
2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid
CID 119016121
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
CID 119004607
2-[5-(1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-2-chloro-3-pyridinyl]acetic acid
CID 90880690
5-ethyl-6-fluoropyridin-3-ol
CID 22451694
6-chloro-5-ethynylpyridin-3-ol
CID 74892576
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-(5-chloro-4-fluoro-2-pyridinyl)acetic acid
CID 130775275
3-(5,6-dichloro-3-pyridinyl)-3-oxopropanoic acid
CID 170886990

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid (CID 119006519) is 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid is O=C(O)Cc1cc(O)cnc1Cl.
What is the InChIKey of 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid?
The InChIKey is PKYNYZRDPDWPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c8-7-4(2-6(11)12)1-5(10)3-9-7/h1,3,10H,2H2,(H,11,12).
What are the key properties of 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid?
2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid has a molecular weight of 187.58 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 119006519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).