2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride

C11H15Cl2NO — CID 162326709

IUPAC2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride
SMILESCl.ClCc1cc(OCCC2CC2)ccn1
InChIInChI=1S/C11H14ClNO.ClH/c12-8-10-7-11(3-5-13-10)14-6-4-9-1-2-9;/h3,5,7,9H,1-2,4,6,8H2;1H
InChIKeyPFAROUUDYBQXKV-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.42
Rot. Bonds5

About 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride

2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride (PubChem CID 162326709) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride
PubChem CID162326709
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride
SMILESCl.ClCc1cc(OCCC2CC2)ccn1
InChIInChI=1S/C11H14ClNO.ClH/c12-8-10-7-11(3-5-13-10)14-6-4-9-1-2-9;/h3,5,7,9H,1-2,4,6,8H2;1H
InChIKeyPFAROUUDYBQXKV-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.42
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

N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 114157961
4-(2-cyclopropylethoxy)pyridine
CID 174949801
2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
CID 113427169
[4-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 62291672
4-(2-cyclopentylethoxy)pyridine
CID 91320777
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 14425986
4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
CID 114270201
(3R,4R)-4-(cyclobutylmethylsulfanylmethyl)-3-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-3-(methoxymethoxy)-1-(methoxymethyl)azetidin-2-one
CID 139513891
S-[4-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-4-(methoxymethoxy)-3-methyl-5-oxohexyl] ethanethioate
CID 146556735
2-(chloromethyl)-4-(4-phenylphenoxy)pyridine
CID 63446226
[4-(cyclohexylmethoxy)-2-pyridinyl]methanamine
CID 62385639

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride (CID 162326709) is 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride is Cl.ClCc1cc(OCCC2CC2)ccn1.
What is the InChIKey of 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride?
The InChIKey is PFAROUUDYBQXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-8-10-7-11(3-5-13-10)14-6-4-9-1-2-9;/h3,5,7,9H,1-2,4,6,8H2;1H.
What are the key properties of 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride?
2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride is sourced from PubChem (CID 162326709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).