4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid

C10H11NO3 — CID 167511421

IUPAC4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(O)C2CC2)ccn1
InChIInChI=1S/C10H11NO3/c12-9(6-1-2-6)7-3-4-11-8(5-7)10(13)14/h3-6,9,12H,1-2H2,(H,13,14)
InChIKeyIUADFKOVUNHQIF-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.22
Rot. Bonds3

About 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid

4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid (PubChem CID 167511421) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid
PubChem CID167511421
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(O)C2CC2)ccn1
InChIInChI=1S/C10H11NO3/c12-9(6-1-2-6)7-3-4-11-8(5-7)10(13)14/h3-6,9,12H,1-2H2,(H,13,14)
InChIKeyIUADFKOVUNHQIF-UHFFFAOYSA-N
XLogP1.22
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid (CID 167511421) is 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid is O=C(O)c1cc(C(O)C2CC2)ccn1.
What is the InChIKey of 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is IUADFKOVUNHQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9(6-1-2-6)7-3-4-11-8(5-7)10(13)14/h3-6,9,12H,1-2H2,(H,13,14).
What are the key properties of 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid?
4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167511421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).