2-(3-methoxy-2-pyridinyl)acetic acid

C8H9NO3 — CID 53411457

IUPAC2-(3-methoxy-2-pyridinyl)acetic acid
SMILESCOc1cccnc1CC(=O)O
InChIInChI=1S/C8H9NO3/c1-12-7-3-2-4-9-6(7)5-8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyOPKXCVNZKVPQFE-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.72
Rot. Bonds3

About 2-(3-methoxy-2-pyridinyl)acetic acid

2-(3-methoxy-2-pyridinyl)acetic acid (PubChem CID 53411457) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(3-methoxy-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-2-pyridinyl)acetic acid
PubChem CID53411457
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(3-methoxy-2-pyridinyl)acetic acid
SMILESCOc1cccnc1CC(=O)O
InChIInChI=1S/C8H9NO3/c1-12-7-3-2-4-9-6(7)5-8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyOPKXCVNZKVPQFE-UHFFFAOYSA-N
XLogP0.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-ethyl-3-methoxypyridine
CID 144504427
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
2-(3-sulfanyl-2-pyridinyl)acetic acid
CID 91518521
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
1-(3-methoxy-2-pyridinyl)-N,N-dimethylmethanamine
CID 130666799
2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213
2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82488510
2-(3-methoxy-2-pyridinyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 129432564
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3-methoxy-2-pyridinyl)acetic acid (CID 53411457) is 2-(3-methoxy-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-methoxy-2-pyridinyl)acetic acid is COc1cccnc1CC(=O)O.
What is the InChIKey of 2-(3-methoxy-2-pyridinyl)acetic acid?
The InChIKey is OPKXCVNZKVPQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-7-3-2-4-9-6(7)5-8(10)11/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-(3-methoxy-2-pyridinyl)acetic acid?
2-(3-methoxy-2-pyridinyl)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-pyridinyl)acetic acid is sourced from PubChem (CID 53411457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).