2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid

C8H7F2NO3 — CID 118949073

IUPAC2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(F)(F)CO)c1
InChIInChI=1S/C8H7F2NO3/c9-8(10,4-12)6-3-5(7(13)14)1-2-11-6/h1-3,12H,4H2,(H,13,14)
InChIKeyLESAFQQJAQLYHT-UHFFFAOYSA-N
MW203.14 g/mol
LogP0.86
Rot. Bonds3

About 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid

2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid (PubChem CID 118949073) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid
PubChem CID118949073
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(F)(F)CO)c1
InChIInChI=1S/C8H7F2NO3/c9-8(10,4-12)6-3-5(7(13)14)1-2-11-6/h1-3,12H,4H2,(H,13,14)
InChIKeyLESAFQQJAQLYHT-UHFFFAOYSA-N
XLogP0.86
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid (CID 118949073) is 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(F)(F)CO)c1.
What is the InChIKey of 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid?
The InChIKey is LESAFQQJAQLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-8(10,4-12)6-3-5(7(13)14)1-2-11-6/h1-3,12H,4H2,(H,13,14).
What are the key properties of 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid?
2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 118949073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).