1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol

C14H13BrClNO — CID 107957878

IUPAC1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2cc(Cl)cc(Br)c2)nc1
InChIInChI=1S/C14H13BrClNO/c1-9-2-3-13(17-8-9)7-14(18)10-4-11(15)6-12(16)5-10/h2-6,8,14,18H,7H2,1H3
InChIKeyWZKCPKLVRLLDHY-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.08
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol

1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol (PubChem CID 107957878) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
PubChem CID107957878
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(CC(O)c2cc(Cl)cc(Br)c2)nc1
InChIInChI=1S/C14H13BrClNO/c1-9-2-3-13(17-8-9)7-14(18)10-4-11(15)6-12(16)5-10/h2-6,8,14,18H,7H2,1H3
InChIKeyWZKCPKLVRLLDHY-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020682
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
CID 81325148
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460323
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369
1-(furan-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461533
1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114021943
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 107947699

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol (CID 107957878) is 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol is Cc1ccc(CC(O)c2cc(Cl)cc(Br)c2)nc1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is WZKCPKLVRLLDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-2-3-13(17-8-9)7-14(18)10-4-11(15)6-12(16)5-10/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol?
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 326.62 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 107957878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).