3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid

C8H7ClFNO2 — CID 162738083

IUPAC3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid
SMILESO=C(O)CCc1cc(F)cnc1Cl
InChIInChI=1S/C8H7ClFNO2/c9-8-5(1-2-7(12)13)3-6(10)4-11-8/h3-4H,1-2H2,(H,12,13)
InChIKeyPICZXTXRZPCWMJ-UHFFFAOYSA-N
MW203.60 g/mol
LogP1.89
Rot. Bonds3

About 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid

3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid (PubChem CID 162738083) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid
PubChem CID162738083
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid
SMILESO=C(O)CCc1cc(F)cnc1Cl
InChIInChI=1S/C8H7ClFNO2/c9-8-5(1-2-7(12)13)3-6(10)4-11-8/h3-4H,1-2H2,(H,12,13)
InChIKeyPICZXTXRZPCWMJ-UHFFFAOYSA-N
XLogP1.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-5-fluoro-3-pyridinyl)ethanol
CID 174218174
3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519709
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
2-(2-amino-5-fluoro-3-pyridinyl)acetic acid
CID 118995801
2-chloro-5-fluoro-3-(methoxymethyl)pyridine
CID 86626262
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid
CID 119006519
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine
CID 162091541
3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84797135
3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
CID 117434417
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid (CID 162738083) is 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid is O=C(O)CCc1cc(F)cnc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid?
The InChIKey is PICZXTXRZPCWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c9-8-5(1-2-7(12)13)3-6(10)4-11-8/h3-4H,1-2H2,(H,12,13).
What are the key properties of 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid?
3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid has a molecular weight of 203.60 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 162738083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).