4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol

C12H10ClNO2 — CID 136949048

IUPAC4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol
SMILESOCc1cc(-c2cc(Cl)ccc2O)ccn1
InChIInChI=1S/C12H10ClNO2/c13-9-1-2-12(16)11(6-9)8-3-4-14-10(5-8)7-15/h1-6,15-16H,7H2
InChIKeyLFPBXURGNAJVKG-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.60
Rot. Bonds2

About 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol

4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol (PubChem CID 136949048) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol
PubChem CID136949048
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol
SMILESOCc1cc(-c2cc(Cl)ccc2O)ccn1
InChIInChI=1S/C12H10ClNO2/c13-9-1-2-12(16)11(6-9)8-3-4-14-10(5-8)7-15/h1-6,15-16H,7H2
InChIKeyLFPBXURGNAJVKG-UHFFFAOYSA-N
XLogP2.60
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-pyridin-4-yl-2-pyridinyl)methanol
CID 118807198
4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol
CID 160823537
4-chloro-2-(2-chloropyrimidin-4-yl)phenol
CID 135743684
4-chloro-2-[5-(5-chloro-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 1257317
2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
4-chloro-2-(3-methylphenyl)phenol
CID 83129691
[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol
CID 61256108
[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]methanol
CID 71710905
5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
CID 142369382
2-(2-amino-4-pyridinyl)-4-chlorophenol;(5-chloro-2-hydroxycyclohexa-1,3,5-trien-1-yl)boronic acid;4-chloropyridin-2-amine
CID 159226862
(4-bromo-2-pyridinyl)methanol
CID 14761462
4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol
CID 167650067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol?
The IUPAC name of 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol (CID 136949048) is 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol.
What is the SMILES notation for 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol?
The canonical SMILES for 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol is OCc1cc(-c2cc(Cl)ccc2O)ccn1.
What is the InChIKey of 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol?
The InChIKey is LFPBXURGNAJVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-9-1-2-12(16)11(6-9)8-3-4-14-10(5-8)7-15/h1-6,15-16H,7H2.
What are the key properties of 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol?
4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol has a molecular weight of 235.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol is sourced from PubChem (CID 136949048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).