(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol

C10H9BrClN3O — CID 107947817

IUPAC(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H9BrClN3O/c1-15-9(5-13-14-15)10(16)6-2-7(11)4-8(12)3-6/h2-5,10,16H,1H3
InChIKeyLAQUBKPGUQABQI-UHFFFAOYSA-N
MW302.56 g/mol
LogP2.31
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol

(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 107947817) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
PubChem CID107947817
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H9BrClN3O/c1-15-9(5-13-14-15)10(16)6-2-7(11)4-8(12)3-6/h2-5,10,16H,1H3
InChIKeyLAQUBKPGUQABQI-UHFFFAOYSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 115836020
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833
(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 114685175
(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684704
(4,5-dibromothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 115836012
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114684944
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
CID 106694030
(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 107947736

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol (CID 107947817) is (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is LAQUBKPGUQABQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-15-9(5-13-14-15)10(16)6-2-7(11)4-8(12)3-6/h2-5,10,16H,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol?
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 302.56 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 107947817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).