(2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid

C10H12ClNO3S — CID 51935160

IUPAC(2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid
SMILESC[C@@H](O)C[C@@H](Sc1ncccc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO3S/c1-6(13)5-8(10(14)15)16-9-7(11)3-2-4-12-9/h2-4,6,8,13H,5H2,1H3,(H,14,15)/t6-,8-/m1/s1
InChIKeyDDRQREGXWZOBFG-HTRCEHHLSA-N
MW261.73 g/mol
LogP2.05
Rot. Bonds5

About (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid

(2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid (PubChem CID 51935160) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name(2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid
PubChem CID51935160
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name(2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid
SMILESC[C@@H](O)C[C@@H](Sc1ncccc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO3S/c1-6(13)5-8(10(14)15)16-9-7(11)3-2-4-12-9/h2-4,6,8,13H,5H2,1H3,(H,14,15)/t6-,8-/m1/s1
InChIKeyDDRQREGXWZOBFG-HTRCEHHLSA-N
XLogP2.05
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(3-chloro-2-pyridinyl)sulfanyl]propanoate
CID 62046154
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylpentanoic acid
CID 64704573
2-[(3-methyl-2-pyridinyl)sulfanyl]-3-phenylpropanoic acid
CID 62253887
methyl 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64703569
2-[(3-chloro-2-pyridinyl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 47138557
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
CID 64630677
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46693684
(2S)-2-[(3-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 94799215
3-[(3-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61319672
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 51321935
1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
CID 174430091

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid?
The IUPAC name of (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid (CID 51935160) is (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid.
What is the SMILES notation for (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid?
The canonical SMILES for (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid is C[C@@H](O)C[C@@H](Sc1ncccc1Cl)C(=O)O.
What is the InChIKey of (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid?
The InChIKey is DDRQREGXWZOBFG-HTRCEHHLSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-6(13)5-8(10(14)15)16-9-7(11)3-2-4-12-9/h2-4,6,8,13H,5H2,1H3,(H,14,15)/t6-,8-/m1/s1.
What are the key properties of (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid?
(2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid has a molecular weight of 261.73 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[(3-chloro-2-pyridinyl)sulfanyl]-4-hydroxypentanoic acid is sourced from PubChem (CID 51935160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).