2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol

C10H11ClN4O — CID 59526170

IUPAC2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol
SMILESCc1nc(Cl)ccc1-c1cn(CCO)nn1
InChIInChI=1S/C10H11ClN4O/c1-7-8(2-3-10(11)12-7)9-6-15(4-5-16)14-13-9/h2-3,6,16H,4-5H2,1H3
InChIKeyGNOXZTBWDVPFLH-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.29
Rot. Bonds3

About 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol

2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol (PubChem CID 59526170) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol
PubChem CID59526170
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol
SMILESCc1nc(Cl)ccc1-c1cn(CCO)nn1
InChIInChI=1S/C10H11ClN4O/c1-7-8(2-3-10(11)12-7)9-6-15(4-5-16)14-13-9/h2-3,6,16H,4-5H2,1H3
InChIKeyGNOXZTBWDVPFLH-UHFFFAOYSA-N
XLogP1.29
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol (CID 59526170) is 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol is Cc1nc(Cl)ccc1-c1cn(CCO)nn1.
What is the InChIKey of 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol?
The InChIKey is GNOXZTBWDVPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-7-8(2-3-10(11)12-7)9-6-15(4-5-16)14-13-9/h2-3,6,16H,4-5H2,1H3.
What are the key properties of 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol?
2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol has a molecular weight of 238.68 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-methyl-3-pyridinyl)triazol-1-yl]ethanol is sourced from PubChem (CID 59526170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).