(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol

C12H10Br2N2O — CID 113393932

IUPAC(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)c1ncc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c1-7-2-3-15-6-9(7)12(17)11-10(14)4-8(13)5-16-11/h2-6,12,17H,1H3
InChIKeyXFFYZPQZNOWLAO-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.39
Rot. Bonds2

About (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol

(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol (PubChem CID 113393932) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol
PubChem CID113393932
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)c1ncc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c1-7-2-3-15-6-9(7)12(17)11-10(14)4-8(13)5-16-11/h2-6,12,17H,1H3
InChIKeyXFFYZPQZNOWLAO-UHFFFAOYSA-N
XLogP3.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817855
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol
CID 103522944
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106880546
(3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66274356
(4-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105110785
(2-bromofuran-3-yl)-(4-methyl-3-pyridinyl)methanol
CID 106859365
1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735851
(4-methyl-3-pyridinyl)-pyridin-2-ylmethanol
CID 66271587
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755136
(2,5-dimethoxyphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66272656
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817782

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol (CID 113393932) is (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol is Cc1ccncc1C(O)c1ncc(Br)cc1Br.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol?
The InChIKey is XFFYZPQZNOWLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-7-2-3-15-6-9(7)12(17)11-10(14)4-8(13)5-16-11/h2-6,12,17H,1H3.
What are the key properties of (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol?
(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol has a molecular weight of 358.03 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 113393932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).