[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol

C13H11BrClNO2 — CID 113378798

IUPAC[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C13H11BrClNO2/c1-8-4-9(7-17)5-13(16-8)18-12-3-2-10(15)6-11(12)14/h2-6,17H,7H2,1H3
InChIKeyHUYFNBNWSVJUON-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.09
Rot. Bonds3

About [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol

[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol (PubChem CID 113378798) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
PubChem CID113378798
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC Name[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C13H11BrClNO2/c1-8-4-9(7-17)5-13(16-8)18-12-3-2-10(15)6-11(12)14/h2-6,17H,7H2,1H3
InChIKeyHUYFNBNWSVJUON-UHFFFAOYSA-N
XLogP4.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256518
4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine
CID 113378896
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol
CID 107725591
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349
[2-(4-fluorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378794
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618543
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine
CID 63489529
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
CID 62477097

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol?
The IUPAC name of [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol (CID 113378798) is [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol?
The canonical SMILES for [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol is Cc1cc(CO)cc(Oc2ccc(Cl)cc2Br)n1.
What is the InChIKey of [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol?
The InChIKey is HUYFNBNWSVJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-8-4-9(7-17)5-13(16-8)18-12-3-2-10(15)6-11(12)14/h2-6,17H,7H2,1H3.
What are the key properties of [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol?
[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol has a molecular weight of 328.59 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 113378798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).