3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine

C9H11Cl2NO — CID 61267668

IUPAC3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine
SMILESCC(C)Oc1ccc(Cl)c(CCl)n1
InChIInChI=1S/C9H11Cl2NO/c1-6(2)13-9-4-3-7(11)8(5-10)12-9/h3-4,6H,5H2,1-2H3
InChIKeySYEWQAHVLAUWGM-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.26
Rot. Bonds3

About 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine

3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine (PubChem CID 61267668) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine
PubChem CID61267668
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine
SMILESCC(C)Oc1ccc(Cl)c(CCl)n1
InChIInChI=1S/C9H11Cl2NO/c1-6(2)13-9-4-3-7(11)8(5-10)12-9/h3-4,6H,5H2,1-2H3
InChIKeySYEWQAHVLAUWGM-UHFFFAOYSA-N
XLogP3.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-6-propan-2-yloxy-2-pyridinyl)methanamine
CID 62290164
3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
CID 61268038
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768
3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine
CID 63446263
[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol
CID 66274832
3-chloro-2-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridine
CID 63446192
3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
CID 106597658
3-(chloromethyl)-6-propan-2-yloxypyridazine
CID 61267484
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
CID 116793288
N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639274
3-chloro-2-(chloromethyl)-6-(2-fluorophenoxy)pyridine
CID 61267319

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine (CID 61267668) is 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine is CC(C)Oc1ccc(Cl)c(CCl)n1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine?
The InChIKey is SYEWQAHVLAUWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-6(2)13-9-4-3-7(11)8(5-10)12-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine?
3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine has a molecular weight of 220.10 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine is sourced from PubChem (CID 61267668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).