2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid

C14H12ClNO3 — CID 2768471

IUPAC2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H12ClNO3/c15-13-6-3-11(8-16-13)9-19-12-4-1-10(2-5-12)7-14(17)18/h1-6,8H,7,9H2,(H,17,18)
InChIKeyVZKWQROWAWQPCS-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid

2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid (PubChem CID 2768471) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid
PubChem CID2768471
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H12ClNO3/c15-13-6-3-11(8-16-13)9-19-12-4-1-10(2-5-12)7-14(17)18/h1-6,8H,7,9H2,(H,17,18)
InChIKeyVZKWQROWAWQPCS-UHFFFAOYSA-N
XLogP2.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid (CID 2768471) is 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid is O=C(O)Cc1ccc(OCc2ccc(Cl)nc2)cc1.
What is the InChIKey of 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid?
The InChIKey is VZKWQROWAWQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-13-6-3-11(8-16-13)9-19-12-4-1-10(2-5-12)7-14(17)18/h1-6,8H,7,9H2,(H,17,18).
What are the key properties of 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid?
2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid has a molecular weight of 277.71 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 2768471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).