(2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride

C8H7Cl3N4O — CID 21327462

IUPAC(2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride
SMILESCl.OC(c1c(Cl)cccc1Cl)n1ncnn1
InChIInChI=1S/C8H6Cl2N4O.ClH/c9-5-2-1-3-6(10)7(5)8(15)14-12-4-11-13-14;/h1-4,8,15H;1H
InChIKeyKTNBVYLZVLKCEN-UHFFFAOYSA-N
MW281.53 g/mol
LogP1.94
Rot. Bonds2

About (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride

(2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride (PubChem CID 21327462) has the molecular formula C8H7Cl3N4O and a molecular weight of 281.53 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride
PubChem CID21327462
Molecular FormulaC8H7Cl3N4O
Molecular Weight281.53 g/mol
Exact Mass279.97
IUPAC Name(2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride
SMILESCl.OC(c1c(Cl)cccc1Cl)n1ncnn1
InChIInChI=1S/C8H6Cl2N4O.ClH/c9-5-2-1-3-6(10)7(5)8(15)14-12-4-11-13-14;/h1-4,8,15H;1H
InChIKeyKTNBVYLZVLKCEN-UHFFFAOYSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride?
The IUPAC name of (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride (CID 21327462) is (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride.
What is the SMILES notation for (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride?
The canonical SMILES for (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride is Cl.OC(c1c(Cl)cccc1Cl)n1ncnn1.
What is the InChIKey of (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride?
The InChIKey is KTNBVYLZVLKCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4O.ClH/c9-5-2-1-3-6(10)7(5)8(15)14-12-4-11-13-14;/h1-4,8,15H;1H.
What are the key properties of (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride?
(2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride has a molecular weight of 281.53 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(tetrazol-2-yl)methanol;hydrochloride is sourced from PubChem (CID 21327462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).