1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol

C15H16BrNO — CID 81118052

IUPAC1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol
SMILESCc1ccc(Br)c(C(O)C(C)c2ccncc2)c1
InChIInChI=1S/C15H16BrNO/c1-10-3-4-14(16)13(9-10)15(18)11(2)12-5-7-17-8-6-12/h3-9,11,15,18H,1-2H3
InChIKeyNQGRNVYZFUHYNK-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.99
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol

1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol (PubChem CID 81118052) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol
PubChem CID81118052
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol
SMILESCc1ccc(Br)c(C(O)C(C)c2ccncc2)c1
InChIInChI=1S/C15H16BrNO/c1-10-3-4-14(16)13(9-10)15(18)11(2)12-5-7-17-8-6-12/h3-9,11,15,18H,1-2H3
InChIKeyNQGRNVYZFUHYNK-UHFFFAOYSA-N
XLogP3.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 66461487
(2-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817855
4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66458948
1-(2-bromo-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171863103
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
CID 83988258
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447347
4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
CID 66459967
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81116828
4-methyl-2-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]phenol
CID 81405986

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol (CID 81118052) is 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol is Cc1ccc(Br)c(C(O)C(C)c2ccncc2)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol?
The InChIKey is NQGRNVYZFUHYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-3-4-14(16)13(9-10)15(18)11(2)12-5-7-17-8-6-12/h3-9,11,15,18H,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol?
1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol has a molecular weight of 306.20 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 81118052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).