4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid

C17H17NO4 — CID 71074584

IUPAC4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)c1ccccc1-c1ccnc(C(=O)O)c1
InChIInChI=1S/C17H17NO4/c1-17(2,3)22-16(21)13-7-5-4-6-12(13)11-8-9-18-14(10-11)15(19)20/h4-10H,1-3H3,(H,19,20)
InChIKeyZCBQUYMVHGPPSW-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.40
Rot. Bonds3

About 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid

4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 71074584) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid
PubChem CID71074584
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)c1ccccc1-c1ccnc(C(=O)O)c1
InChIInChI=1S/C17H17NO4/c1-17(2,3)22-16(21)13-7-5-4-6-12(13)11-8-9-18-14(10-11)15(19)20/h4-10H,1-3H3,(H,19,20)
InChIKeyZCBQUYMVHGPPSW-UHFFFAOYSA-N
XLogP3.40
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid (CID 71074584) is 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)c1ccccc1-c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is ZCBQUYMVHGPPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-17(2,3)22-16(21)13-7-5-4-6-12(13)11-8-9-18-14(10-11)15(19)20/h4-10H,1-3H3,(H,19,20).
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid?
4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 71074584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).