2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid

C11H14FNO4 — CID 101482130

IUPAC2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
SMILESCOC(=O)N1C=CC(C(C)(C)C(=O)O)C(F)=C1
InChIInChI=1S/C11H14FNO4/c1-11(2,9(14)15)7-4-5-13(6-8(7)12)10(16)17-3/h4-7H,1-3H3,(H,14,15)
InChIKeyGUUJCRDFFXQHQT-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.12
Rot. Bonds2

About 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid

2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid (PubChem CID 101482130) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
PubChem CID101482130
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
SMILESCOC(=O)N1C=CC(C(C)(C)C(=O)O)C(F)=C1
InChIInChI=1S/C11H14FNO4/c1-11(2,9(14)15)7-4-5-13(6-8(7)12)10(16)17-3/h4-7H,1-3H3,(H,14,15)
InChIKeyGUUJCRDFFXQHQT-UHFFFAOYSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 15525620
2-(1-acetyl-4H-pyridin-4-yl)acetic acid
CID 101540814
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-3-methylbutanoic acid
CID 11536029
2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid
CID 11550352
2-(1-methoxycarbonyl-2-methyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 11579588
2-(1-methoxycarbonyl-4H-pyridin-4-yl)acetic acid
CID 11593610
2-(1-methoxycarbonyl-4H-pyridin-4-yl)pent-4-enoic acid
CID 11615618
2-(1-methoxycarbonyl-3-methyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 11630077
2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid
CID 11644169
methyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
CID 11673140
ethyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
CID 15812049
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-3,3-dimethylbutanoic acid
CID 101173913

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid (CID 101482130) is 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid is COC(=O)N1C=CC(C(C)(C)C(=O)O)C(F)=C1.
What is the InChIKey of 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid?
The InChIKey is GUUJCRDFFXQHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-11(2,9(14)15)7-4-5-13(6-8(7)12)10(16)17-3/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid?
2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid has a molecular weight of 243.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 101482130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).