2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine

C11H14ClNO2 — CID 10561283

IUPAC2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine
SMILESCOc1c(OCC2CC2)ccnc1CCl
InChIInChI=1S/C11H14ClNO2/c1-14-11-9(6-12)13-5-4-10(11)15-7-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyOXXCDICHHKWMKG-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.62
Rot. Bonds5

About 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine

2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine (PubChem CID 10561283) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine
PubChem CID10561283
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine
SMILESCOc1c(OCC2CC2)ccnc1CCl
InChIInChI=1S/C11H14ClNO2/c1-14-11-9(6-12)13-5-4-10(11)15-7-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyOXXCDICHHKWMKG-UHFFFAOYSA-N
XLogP2.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine?
The IUPAC name of 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine (CID 10561283) is 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine?
The canonical SMILES for 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine is COc1c(OCC2CC2)ccnc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine?
The InChIKey is OXXCDICHHKWMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-14-11-9(6-12)13-5-4-10(11)15-7-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine?
2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine has a molecular weight of 227.69 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(cyclopropylmethoxy)-3-methoxypyridine is sourced from PubChem (CID 10561283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).