2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid

C13H12N2O3 — CID 131870032

IUPAC2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid
SMILESCOc1cncc(-c2cccnc2)c1CC(=O)O
InChIInChI=1S/C13H12N2O3/c1-18-12-8-15-7-11(10(12)5-13(16)17)9-3-2-4-14-6-9/h2-4,6-8H,5H2,1H3,(H,16,17)
InChIKeyKKDOJFDSDTXZRI-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.78
Rot. Bonds4

About 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid

2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid (PubChem CID 131870032) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid
PubChem CID131870032
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid
SMILESCOc1cncc(-c2cccnc2)c1CC(=O)O
InChIInChI=1S/C13H12N2O3/c1-18-12-8-15-7-11(10(12)5-13(16)17)9-3-2-4-14-6-9/h2-4,6-8H,5H2,1H3,(H,16,17)
InChIKeyKKDOJFDSDTXZRI-UHFFFAOYSA-N
XLogP1.78
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131869550
2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134627169
2-[3-(2-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131870066
2-[3-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]acetic acid
CID 134627185
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(2-methoxyphenyl)pyridine
CID 4133297
2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid
CID 131870069
3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid
CID 110447340
2-(6-methyl-3-pyridin-3-yl-2-pyridinyl)acetic acid
CID 46316907
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid?
The IUPAC name of 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid (CID 131870032) is 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid is COc1cncc(-c2cccnc2)c1CC(=O)O.
What is the InChIKey of 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid?
The InChIKey is KKDOJFDSDTXZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-12-8-15-7-11(10(12)5-13(16)17)9-3-2-4-14-6-9/h2-4,6-8H,5H2,1H3,(H,16,17).
What are the key properties of 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid?
2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid is sourced from PubChem (CID 131870032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).