(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol

C14H14BrNO — CID 115606170

IUPAC(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2ccc(Br)cn2)c1
InChIInChI=1S/C14H14BrNO/c1-9-3-4-10(2)12(7-9)14(17)13-6-5-11(15)8-16-13/h3-8,14,17H,1-2H3
InChIKeySHQNYKHRISPRER-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.54
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol

(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol (PubChem CID 115606170) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
PubChem CID115606170
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2ccc(Br)cn2)c1
InChIInChI=1S/C14H14BrNO/c1-9-3-4-10(2)12(7-9)14(17)13-6-5-11(15)8-16-13/h3-8,14,17H,1-2H3
InChIKeySHQNYKHRISPRER-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
CID 113230461
(2,4-dibromophenyl)-(2,5-dimethylphenyl)methanol
CID 114019435
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115606081
(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 113460971
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
(2,5-dimethylphenyl)-quinolin-2-ylmethanol
CID 63222339
N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 115606105
(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
(5-bromo-2-pyridinyl)-pyrimidin-2-ylmethanol
CID 171846031
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol
CID 104737732

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol (CID 115606170) is (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol is Cc1ccc(C)c(C(O)c2ccc(Br)cn2)c1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol?
The InChIKey is SHQNYKHRISPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-9-3-4-10(2)12(7-9)14(17)13-6-5-11(15)8-16-13/h3-8,14,17H,1-2H3.
What are the key properties of (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol?
(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol has a molecular weight of 292.18 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 115606170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).