1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol

C13H10BrCl2NO — CID 113393945

IUPAC1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrCl2NO/c14-9-2-4-12(17-7-9)13(18)6-8-1-3-10(15)11(16)5-8/h1-5,7,13,18H,6H2
InChIKeyGMBCKEIHCXIPFV-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.43
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol

1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 113393945) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID113393945
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrCl2NO/c14-9-2-4-12(17-7-9)13(18)6-8-1-3-10(15)11(16)5-8/h1-5,7,13,18H,6H2
InChIKeyGMBCKEIHCXIPFV-UHFFFAOYSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319833
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol
CID 114012664
4-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,2-dichlorobenzene
CID 66035939
1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113393957
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
CID 63426686

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol (CID 113393945) is 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is GMBCKEIHCXIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c14-9-2-4-12(17-7-9)13(18)6-8-1-3-10(15)11(16)5-8/h1-5,7,13,18H,6H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol?
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 347.04 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 113393945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).