2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid

C14H13NO3 — CID 18958983

IUPAC2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C14H13NO3/c16-14(17)9-11-4-6-13(7-5-11)18-10-12-3-1-2-8-15-12/h1-8H,9-10H2,(H,16,17)
InChIKeyVBVVCMQQQFYMMJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.29
Rot. Bonds5

About 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid

2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid (PubChem CID 18958983) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
PubChem CID18958983
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C14H13NO3/c16-14(17)9-11-4-6-13(7-5-11)18-10-12-3-1-2-8-15-12/h1-8H,9-10H2,(H,16,17)
InChIKeyVBVVCMQQQFYMMJ-UHFFFAOYSA-N
XLogP2.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
CID 101045266
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;methane
CID 21269133
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
CID 43310274
2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
CID 117094930
CID 131857449
CID 131857449
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861
(2S)-4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-2-ylmethoxy)phenyl]pentan-3-one
CID 59915344

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid (CID 18958983) is 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid?
The InChIKey is VBVVCMQQQFYMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)9-11-4-6-13(7-5-11)18-10-12-3-1-2-8-15-12/h1-8H,9-10H2,(H,16,17).
What are the key properties of 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid?
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 18958983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).