(4-chloro-3-pyrimidin-2-ylphenyl)methanol

C11H9ClN2O — CID 70522497

IUPAC(4-chloro-3-pyrimidin-2-ylphenyl)methanol
SMILESOCc1ccc(Cl)c(-c2ncccn2)c1
InChIInChI=1S/C11H9ClN2O/c12-10-3-2-8(7-15)6-9(10)11-13-4-1-5-14-11/h1-6,15H,7H2
InChIKeyJCMJGFVSIUTZGH-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.29
Rot. Bonds2

About (4-chloro-3-pyrimidin-2-ylphenyl)methanol

(4-chloro-3-pyrimidin-2-ylphenyl)methanol (PubChem CID 70522497) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (4-chloro-3-pyrimidin-2-ylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-pyrimidin-2-ylphenyl)methanol
PubChem CID70522497
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(4-chloro-3-pyrimidin-2-ylphenyl)methanol
SMILESOCc1ccc(Cl)c(-c2ncccn2)c1
InChIInChI=1S/C11H9ClN2O/c12-10-3-2-8(7-15)6-9(10)11-13-4-1-5-14-11/h1-6,15H,7H2
InChIKeyJCMJGFVSIUTZGH-UHFFFAOYSA-N
XLogP2.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-3-(5-methylthiophen-2-yl)phenyl]methanol
CID 172650532
4-chloro-3-pyrimidin-2-ylbenzaldehyde
CID 45278343
(4-tert-butyl-3-pyrimidin-2-ylphenyl)methanol;3-prop-2-enoxyprop-1-ene
CID 70523119
(2-chloro-4-pyridinyl)methanol
CID 7062237
2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
CID 101434001
2,4-dichloro-1-(2,4-dichlorophenoxy)benzene;(2,4-dichloro-5-pyrimidin-2-ylphenyl)methanol
CID 88730713
[3-(2-chlorophenyl)-2-pyridinyl]methanol
CID 154672762
[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol
CID 118997102
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
(3-methoxy-4-pyridin-2-ylphenyl)methanol
CID 71195386
[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232377
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyrimidin-2-ylphenyl)methanol?
The IUPAC name of (4-chloro-3-pyrimidin-2-ylphenyl)methanol (CID 70522497) is (4-chloro-3-pyrimidin-2-ylphenyl)methanol.
What is the SMILES notation for (4-chloro-3-pyrimidin-2-ylphenyl)methanol?
The canonical SMILES for (4-chloro-3-pyrimidin-2-ylphenyl)methanol is OCc1ccc(Cl)c(-c2ncccn2)c1.
What is the InChIKey of (4-chloro-3-pyrimidin-2-ylphenyl)methanol?
The InChIKey is JCMJGFVSIUTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-3-2-8(7-15)6-9(10)11-13-4-1-5-14-11/h1-6,15H,7H2.
What are the key properties of (4-chloro-3-pyrimidin-2-ylphenyl)methanol?
(4-chloro-3-pyrimidin-2-ylphenyl)methanol has a molecular weight of 220.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyrimidin-2-ylphenyl)methanol is sourced from PubChem (CID 70522497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).