3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine

C9H8Cl2N4O — CID 106597658

IUPAC3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
SMILESCn1cnc(Oc2ccc(Cl)c(CCl)n2)n1
InChIInChI=1S/C9H8Cl2N4O/c1-15-5-12-9(14-15)16-8-3-2-6(11)7(4-10)13-8/h2-3,5H,4H2,1H3
InChIKeyKHNCHWIVIWAPBG-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.39
Rot. Bonds3

About 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine

3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine (PubChem CID 106597658) has the molecular formula C9H8Cl2N4O and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
PubChem CID106597658
Molecular FormulaC9H8Cl2N4O
Molecular Weight259.10 g/mol
Exact Mass258.01
IUPAC Name3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
SMILESCn1cnc(Oc2ccc(Cl)c(CCl)n2)n1
InChIInChI=1S/C9H8Cl2N4O/c1-15-5-12-9(14-15)16-8-3-2-6(11)7(4-10)13-8/h2-3,5H,4H2,1H3
InChIKeyKHNCHWIVIWAPBG-UHFFFAOYSA-N
XLogP2.39
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106597989
3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
CID 116793288
3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
CID 81346162
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768
3-chloro-2-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridine
CID 63446192
3-chloro-2-(chloromethyl)-6-(2-fluorophenoxy)pyridine
CID 61267319
6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446405
3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine
CID 61267668
3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
CID 61268038
6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809
2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
CID 106597726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine (CID 106597658) is 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine is Cn1cnc(Oc2ccc(Cl)c(CCl)n2)n1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine?
The InChIKey is KHNCHWIVIWAPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O/c1-15-5-12-9(14-15)16-8-3-2-6(11)7(4-10)13-8/h2-3,5H,4H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine?
3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine has a molecular weight of 259.10 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine is sourced from PubChem (CID 106597658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).