(2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol

C10H11Cl2N3O — CID 99703259

IUPAC(2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol
SMILESCC[C@H](O)Cn1nnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H11Cl2N3O/c1-2-6(16)5-15-10-4-8(12)7(11)3-9(10)13-14-15/h3-4,6,16H,2,5H2,1H3/t6-/m0/s1
InChIKeyNFXIDUCWSZZQNE-LURJTMIESA-N
MW260.12 g/mol
LogP2.51
Rot. Bonds3

About (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol

(2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol (PubChem CID 99703259) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol
PubChem CID99703259
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name(2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol
SMILESCC[C@H](O)Cn1nnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H11Cl2N3O/c1-2-6(16)5-15-10-4-8(12)7(11)3-9(10)13-14-15/h3-4,6,16H,2,5H2,1H3/t6-/m0/s1
InChIKeyNFXIDUCWSZZQNE-LURJTMIESA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5,6-dichlorobenzotriazol-1-yl)-2-hydroxypropyl]oxolan-3-ol
CID 167947178
2-(5,6-dichlorobenzotriazol-1-yl)ethanol
CID 82147134
5,6-dichloro-1-propan-2-ylbenzotriazole
CID 178059021
4-[(5,6-dichlorobenzotriazol-1-yl)methyl]benzoic acid
CID 94750680
5-ethenyl-1-ethyl-6-fluorobenzotriazole
CID 152936015
1-(3,5-diethylpyrazol-1-yl)butan-2-ol
CID 82694356
1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
CID 178165955
2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 56837220
2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53377790
7-chloro-3-[2-hydroxy-3-(5-methylbenzotriazol-1-yl)propyl]quinazolin-4-one
CID 162649334
1-(benzotriazol-1-yl)-3-phenothiazin-10-ylpropan-2-ol
CID 2897268
(2R)-1-(benzotriazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 7375720

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol?
The IUPAC name of (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol (CID 99703259) is (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol.
What is the SMILES notation for (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol?
The canonical SMILES for (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol is CC[C@H](O)Cn1nnc2cc(Cl)c(Cl)cc21.
What is the InChIKey of (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol?
The InChIKey is NFXIDUCWSZZQNE-LURJTMIESA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c1-2-6(16)5-15-10-4-8(12)7(11)3-9(10)13-14-15/h3-4,6,16H,2,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol?
(2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol has a molecular weight of 260.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol is sourced from PubChem (CID 99703259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).