(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol

C14H14BrNO — CID 113230461

IUPAC(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)cn2)cc1C
InChIInChI=1S/C14H14BrNO/c1-9-3-4-11(7-10(9)2)14(17)13-6-5-12(15)8-16-13/h3-8,14,17H,1-2H3
InChIKeyLNSNZMWKNRMSQP-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.54
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol

(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol (PubChem CID 113230461) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
PubChem CID113230461
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)cn2)cc1C
InChIInChI=1S/C14H14BrNO/c1-9-3-4-11(7-10(9)2)14(17)13-6-5-12(15)8-16-13/h3-8,14,17H,1-2H3
InChIKeyLNSNZMWKNRMSQP-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-difluorophenyl)methanol
CID 115606173
(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
CID 115606170
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169
(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115606122
(R)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481789
(S)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481788
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
CID 116505490
(5-bromo-2-pyridinyl)-pyrimidin-2-ylmethanol
CID 171846031
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol (CID 113230461) is (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol is Cc1ccc(C(O)c2ccc(Br)cn2)cc1C.
What is the InChIKey of (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol?
The InChIKey is LNSNZMWKNRMSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-9-3-4-11(7-10(9)2)14(17)13-6-5-12(15)8-16-13/h3-8,14,17H,1-2H3.
What are the key properties of (5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol?
(5-bromo-2-pyridinyl)-(3,4-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)-(3,4-dimethylphenyl)methanol is sourced from PubChem (CID 113230461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).