[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol

C14H13BrClNO2 — CID 61256518

IUPAC[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C14H13BrClNO2/c1-8-5-9(2)17-14(11(8)7-18)19-13-4-3-10(16)6-12(13)15/h3-6,18H,7H2,1-2H3
InChIKeyBAPWTGSTHPTIHM-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.40
Rot. Bonds3

About [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol

[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 61256518) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID61256518
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C14H13BrClNO2/c1-8-5-9(2)17-14(11(8)7-18)19-13-4-3-10(16)6-12(13)15/h3-6,18H,7H2,1-2H3
InChIKeyBAPWTGSTHPTIHM-UHFFFAOYSA-N
XLogP4.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dichlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257315
[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378798
2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
CID 63446420
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296558
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256704
3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine
CID 79406784
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256294
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175759
[2-(5-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 114671610

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol (CID 61256518) is [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(Oc2ccc(Cl)cc2Br)n1.
What is the InChIKey of [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is BAPWTGSTHPTIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-8-5-9(2)17-14(11(8)7-18)19-13-4-3-10(16)6-12(13)15/h3-6,18H,7H2,1-2H3.
What are the key properties of [2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 342.62 g/mol, XLogP of 4.40, 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)-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 61256518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).