3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine

C10H14ClNO — CID 61268222

IUPAC3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1ncccc1CCl
InChIInChI=1S/C10H14ClNO/c1-10(2,3)13-9-8(7-11)5-4-6-12-9/h4-6H,7H2,1-3H3
InChIKeyPVPHBFUFSRQIME-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.00
Rot. Bonds2

About 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine

3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 61268222) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID61268222
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1ncccc1CCl
InChIInChI=1S/C10H14ClNO/c1-10(2,3)13-9-8(7-11)5-4-6-12-9/h4-6H,7H2,1-3H3
InChIKeyPVPHBFUFSRQIME-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.00
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-(chloromethyl)-2-(3,3-dimethylbutoxy)pyridine
CID 66224234
1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679766
2-[(2-methylpropan-2-yl)oxy]pyridin-3-ol
CID 71758479
5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline
CID 58730261
3-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268037
3-ethyl-2-(trifluoromethoxy)pyridine
CID 166104126
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
3-(chloromethyl)-2-pyridin-3-yloxypyridine
CID 61268783
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
3-(chloromethyl)-2-(4-methylsulfanylphenoxy)pyridine
CID 63647867
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine (CID 61268222) is 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine is CC(C)(C)Oc1ncccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is PVPHBFUFSRQIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-10(2,3)13-9-8(7-11)5-4-6-12-9/h4-6H,7H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine?
3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 199.68 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 61268222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).