2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid

C14H13NO3 — CID 133095598

IUPAC2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
SMILESCOc1c(CC(=O)O)ccnc1-c1ccccc1
InChIInChI=1S/C14H13NO3/c1-18-14-11(9-12(16)17)7-8-15-13(14)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyQVRAADPDYOEZPD-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid

2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid (PubChem CID 133095598) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
PubChem CID133095598
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid
SMILESCOc1c(CC(=O)O)ccnc1-c1ccccc1
InChIInChI=1S/C14H13NO3/c1-18-14-11(9-12(16)17)7-8-15-13(14)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyQVRAADPDYOEZPD-UHFFFAOYSA-N
XLogP2.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylisoquinolin-5-yl)acetic acid
CID 12851870
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
CID 133095599
5,6,7-trimethoxy-1-phenylisoquinoline
CID 134913791
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
7-methoxy-1-phenylisoquinoline
CID 86087026
2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid
CID 13320599
2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
CID 175958924
2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid
CID 131870393
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
2-[1-(4-nitrophenyl)isoquinolin-5-yl]acetic acid
CID 12851866
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
7,8-dimethoxy-1-phenylisoquinoline
CID 134913622

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid?
The IUPAC name of 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid (CID 133095598) is 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid is COc1c(CC(=O)O)ccnc1-c1ccccc1.
What is the InChIKey of 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid?
The InChIKey is QVRAADPDYOEZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14-11(9-12(16)17)7-8-15-13(14)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid?
2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-phenyl-4-pyridinyl)acetic acid is sourced from PubChem (CID 133095598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).