3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid

C14H12ClNO4 — CID 107714129

IUPAC3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccccc2CCO)c1Cl
InChIInChI=1S/C14H12ClNO4/c15-12-10(14(18)19)5-7-16-13(12)20-11-4-2-1-3-9(11)6-8-17/h1-5,7,17H,6,8H2,(H,18,19)
InChIKeyOPPZJXYRPIGLNG-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.76
Rot. Bonds5

About 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid

3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid (PubChem CID 107714129) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
PubChem CID107714129
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccccc2CCO)c1Cl
InChIInChI=1S/C14H12ClNO4/c15-12-10(14(18)19)5-7-16-13(12)20-11-4-2-1-3-9(11)6-8-17/h1-5,7,17H,6,8H2,(H,18,19)
InChIKeyOPPZJXYRPIGLNG-UHFFFAOYSA-N
XLogP2.76
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063252
methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
CID 107713848
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107712373
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
3-chloro-2-(2-pyridin-2-ylethoxy)pyridine-4-carboxylic acid
CID 107063375
2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol
CID 107713600

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid (CID 107714129) is 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2ccccc2CCO)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid?
The InChIKey is OPPZJXYRPIGLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-12-10(14(18)19)5-7-16-13(12)20-11-4-2-1-3-9(11)6-8-17/h1-5,7,17H,6,8H2,(H,18,19).
What are the key properties of 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid?
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 107714129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).