(2-chloro-3-pyridinyl) 2-hydroxypropanoate

C8H8ClNO3 — CID 131201350

IUPAC(2-chloro-3-pyridinyl) 2-hydroxypropanoate
SMILESCC(O)C(=O)Oc1cccnc1Cl
InChIInChI=1S/C8H8ClNO3/c1-5(11)8(12)13-6-3-2-4-10-7(6)9/h2-5,11H,1H3
InChIKeyNGIHQTGPSNHORP-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.02
Rot. Bonds2

About (2-chloro-3-pyridinyl) 2-hydroxypropanoate

(2-chloro-3-pyridinyl) 2-hydroxypropanoate (PubChem CID 131201350) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl) 2-hydroxypropanoate
PubChem CID131201350
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name(2-chloro-3-pyridinyl) 2-hydroxypropanoate
SMILESCC(O)C(=O)Oc1cccnc1Cl
InChIInChI=1S/C8H8ClNO3/c1-5(11)8(12)13-6-3-2-4-10-7(6)9/h2-5,11H,1H3
InChIKeyNGIHQTGPSNHORP-UHFFFAOYSA-N
XLogP1.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-3-pyridinyl) azetidine-1-carboxylate
CID 169229257
(2-chloro-3-pyridinyl) 4-ethoxybutanoate
CID 71930736
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
(4-pyridin-2-ylphenyl) 2-hydroxypropanoate
CID 117051698
3-butan-2-yloxy-2-chloropyridine
CID 65102026
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583
2-chloro-N-propan-2-yloxypyridine-3-carboxamide
CID 131020974
2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
CID 130059341
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl) 2-hydroxypropanoate?
The IUPAC name of (2-chloro-3-pyridinyl) 2-hydroxypropanoate (CID 131201350) is (2-chloro-3-pyridinyl) 2-hydroxypropanoate.
What is the SMILES notation for (2-chloro-3-pyridinyl) 2-hydroxypropanoate?
The canonical SMILES for (2-chloro-3-pyridinyl) 2-hydroxypropanoate is CC(O)C(=O)Oc1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl) 2-hydroxypropanoate?
The InChIKey is NGIHQTGPSNHORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-5(11)8(12)13-6-3-2-4-10-7(6)9/h2-5,11H,1H3.
What are the key properties of (2-chloro-3-pyridinyl) 2-hydroxypropanoate?
(2-chloro-3-pyridinyl) 2-hydroxypropanoate has a molecular weight of 201.61 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl) 2-hydroxypropanoate is sourced from PubChem (CID 131201350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).