1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride

C9H12Cl2N2O — CID 45263903

IUPAC1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(COc2ccc(Cl)nc2)CC1
InChIInChI=1S/C9H11ClN2O.ClH/c10-8-2-1-7(5-12-8)13-6-9(11)3-4-9;/h1-2,5H,3-4,6,11H2;1H
InChIKeyGQEANGLEIGQLLJ-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.03
Rot. Bonds3

About 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride

1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride (PubChem CID 45263903) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride
PubChem CID45263903
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(COc2ccc(Cl)nc2)CC1
InChIInChI=1S/C9H11ClN2O.ClH/c10-8-2-1-7(5-12-8)13-6-9(11)3-4-9;/h1-2,5H,3-4,6,11H2;1H
InChIKeyGQEANGLEIGQLLJ-UHFFFAOYSA-N
XLogP2.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride (CID 45263903) is 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(COc2ccc(Cl)nc2)CC1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is GQEANGLEIGQLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c10-8-2-1-7(5-12-8)13-6-9(11)3-4-9;/h1-2,5H,3-4,6,11H2;1H.
What are the key properties of 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride?
1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 235.11 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45263903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).