(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid

C9H10ClNO3 — CID 104876476

IUPAC(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid
SMILESC[C@H](OCc1ccncc1Cl)C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-6(9(12)13)14-5-7-2-3-11-4-8(7)10/h2-4,6H,5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyVWASPDXCWSCQTE-LURJTMIESA-N
MW215.64 g/mol
LogP1.72
Rot. Bonds4

About (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid

(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid (PubChem CID 104876476) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid
PubChem CID104876476
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid
SMILESC[C@H](OCc1ccncc1Cl)C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-6(9(12)13)14-5-7-2-3-11-4-8(7)10/h2-4,6H,5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyVWASPDXCWSCQTE-LURJTMIESA-N
XLogP1.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 79794515
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid
CID 104875534
(3-chloro-4-pyridinyl)methylcarbamic acid
CID 176952397
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
CID 107719563
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
CID 113302926
methyl 3-[(3-chloro-4-pyridinyl)methylsulfanyl]butanoate
CID 66114393
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid (CID 104876476) is (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid is C[C@H](OCc1ccncc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid?
The InChIKey is VWASPDXCWSCQTE-LURJTMIESA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-6(9(12)13)14-5-7-2-3-11-4-8(7)10/h2-4,6H,5H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid?
(2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid has a molecular weight of 215.64 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-4-pyridinyl)methoxy]propanoic acid is sourced from PubChem (CID 104876476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).