4-chloro-3-pyridin-4-ylphenol

C11H8ClNO — CID 46316948

IUPAC4-chloro-3-pyridin-4-ylphenol
SMILESOc1ccc(Cl)c(-c2ccncc2)c1
InChIInChI=1S/C11H8ClNO/c12-11-2-1-9(14)7-10(11)8-3-5-13-6-4-8/h1-7,14H
InChIKeySVCMZOXDKONQRA-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.11
Rot. Bonds1

About 4-chloro-3-pyridin-4-ylphenol

4-chloro-3-pyridin-4-ylphenol (PubChem CID 46316948) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 4-chloro-3-pyridin-4-ylphenol.

Molecular Properties

Compound Name4-chloro-3-pyridin-4-ylphenol
PubChem CID46316948
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name4-chloro-3-pyridin-4-ylphenol
SMILESOc1ccc(Cl)c(-c2ccncc2)c1
InChIInChI=1S/C11H8ClNO/c12-11-2-1-9(14)7-10(11)8-3-5-13-6-4-8/h1-7,14H
InChIKeySVCMZOXDKONQRA-UHFFFAOYSA-N
XLogP3.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-pyridin-4-ylphenol?
The IUPAC name of 4-chloro-3-pyridin-4-ylphenol (CID 46316948) is 4-chloro-3-pyridin-4-ylphenol.
What is the SMILES notation for 4-chloro-3-pyridin-4-ylphenol?
The canonical SMILES for 4-chloro-3-pyridin-4-ylphenol is Oc1ccc(Cl)c(-c2ccncc2)c1.
What is the InChIKey of 4-chloro-3-pyridin-4-ylphenol?
The InChIKey is SVCMZOXDKONQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-11-2-1-9(14)7-10(11)8-3-5-13-6-4-8/h1-7,14H.
What are the key properties of 4-chloro-3-pyridin-4-ylphenol?
4-chloro-3-pyridin-4-ylphenol has a molecular weight of 205.64 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-pyridin-4-ylphenol is sourced from PubChem (CID 46316948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).