(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol

C13H12BrNO — CID 81447903

IUPAC(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
SMILESCc1cc(C(O)c2cccnc2)ccc1Br
InChIInChI=1S/C13H12BrNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h2-8,13,16H,1H3
InChIKeyUXVJSQOSWANADX-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.23
Rot. Bonds2

About (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol

(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol (PubChem CID 81447903) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
PubChem CID81447903
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
SMILESCc1cc(C(O)c2cccnc2)ccc1Br
InChIInChI=1S/C13H12BrNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h2-8,13,16H,1H3
InChIKeyUXVJSQOSWANADX-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol
CID 70620359
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
(4-propylphenyl)-pyridin-3-ylmethanol
CID 61087023
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796759

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol (CID 81447903) is (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol is Cc1cc(C(O)c2cccnc2)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol?
The InChIKey is UXVJSQOSWANADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h2-8,13,16H,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol?
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol has a molecular weight of 278.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 81447903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).