(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride

C10H14Cl2N2 — CID 171198793

IUPAC(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2.ClH/c11-10-4-3-8(6-13-10)9(12)5-7-1-2-7;/h3-4,6-7,9H,1-2,5,12H2;1H/t9-;/m1./s1
InChIKeyMCIBJRQSLUNNDN-SBSPUUFOSA-N
MW233.14 g/mol
LogP2.96
Rot. Bonds3

About (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride

(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171198793) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171198793
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2.ClH/c11-10-4-3-8(6-13-10)9(12)5-7-1-2-7;/h3-4,6-7,9H,1-2,5,12H2;1H/t9-;/m1./s1
InChIKeyMCIBJRQSLUNNDN-SBSPUUFOSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-amino-2-cyclopropylethyl)pyridin-2-amine
CID 55294489
(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 131028526
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
(6-chloro-3-pyridinyl)-cyclopropylmethanamine
CID 55295463
(1R)-1-(6-chloro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171198788
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile
CID 86716184
2-cyclopentyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854888
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine
CID 105252962
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride (CID 171198793) is (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride is Cl.N[C@H](CC1CC1)c1ccc(Cl)nc1.
What is the InChIKey of (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is MCIBJRQSLUNNDN-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13ClN2.ClH/c11-10-4-3-8(6-13-10)9(12)5-7-1-2-7;/h3-4,6-7,9H,1-2,5,12H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride?
(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 233.14 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171198793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).