(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol

C14H12Br2FNO — CID 106880546

IUPAC(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ncc(Br)cc2Br)c(F)c1
InChIInChI=1S/C14H12Br2FNO/c1-7-3-8(2)12(11(17)4-7)14(19)13-10(16)5-9(15)6-18-13/h3-6,14,19H,1-2H3
InChIKeyQYPNXZZVIIDZMK-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.44
Rot. Bonds2

About (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol

(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol (PubChem CID 106880546) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
PubChem CID106880546
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ncc(Br)cc2Br)c(F)c1
InChIInChI=1S/C14H12Br2FNO/c1-7-3-8(2)12(11(17)4-7)14(19)13-10(16)5-9(15)6-18-13/h3-6,14,19H,1-2H3
InChIKeyQYPNXZZVIIDZMK-UHFFFAOYSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881964
(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol
CID 113393932
(5-chloro-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881129
(4-bromo-3-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884138
(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol
CID 106881131
1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881958
(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 106884178
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884122
(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106880297
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol (CID 106880546) is (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol is Cc1cc(C)c(C(O)c2ncc(Br)cc2Br)c(F)c1.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol?
The InChIKey is QYPNXZZVIIDZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-7-3-8(2)12(11(17)4-7)14(19)13-10(16)5-9(15)6-18-13/h3-6,14,19H,1-2H3.
What are the key properties of (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol?
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol has a molecular weight of 389.06 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106880546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).