1-(3,5-dichloro-2-pyridinyl)benzotriazole

C11H6Cl2N4 — CID 4825894

IUPAC1-(3,5-dichloro-2-pyridinyl)benzotriazole
SMILESClc1cnc(-n2nnc3ccccc32)c(Cl)c1
InChIInChI=1S/C11H6Cl2N4/c12-7-5-8(13)11(14-6-7)17-10-4-2-1-3-9(10)15-16-17/h1-6H
InChIKeyKFLSNYDHRQPVMM-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.12
Rot. Bonds1

About 1-(3,5-dichloro-2-pyridinyl)benzotriazole

1-(3,5-dichloro-2-pyridinyl)benzotriazole (PubChem CID 4825894) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)benzotriazole.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)benzotriazole
PubChem CID4825894
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name1-(3,5-dichloro-2-pyridinyl)benzotriazole
SMILESClc1cnc(-n2nnc3ccccc32)c(Cl)c1
InChIInChI=1S/C11H6Cl2N4/c12-7-5-8(13)11(14-6-7)17-10-4-2-1-3-9(10)15-16-17/h1-6H
InChIKeyKFLSNYDHRQPVMM-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridinyl)benzotriazole
CID 12588335
6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102760218
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
CID 113317011
2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine
CID 63637547
1-(5-bromo-3-nitro-2-pyridinyl)benzotriazole
CID 61374153
1-(1H-indazol-3-yl)benzotriazole
CID 45104174
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
1-(6-chloropyridazin-3-yl)benzotriazole
CID 43213118
1-(6-chloropyrazin-2-yl)benzotriazole
CID 43260425
1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752
6-(benzotriazol-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19148004

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)benzotriazole?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)benzotriazole (CID 4825894) is 1-(3,5-dichloro-2-pyridinyl)benzotriazole.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)benzotriazole?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)benzotriazole is Clc1cnc(-n2nnc3ccccc32)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)benzotriazole?
The InChIKey is KFLSNYDHRQPVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-7-5-8(13)11(14-6-7)17-10-4-2-1-3-9(10)15-16-17/h1-6H.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)benzotriazole?
1-(3,5-dichloro-2-pyridinyl)benzotriazole has a molecular weight of 265.10 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)benzotriazole is sourced from PubChem (CID 4825894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).