(1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride

C7H10Cl2N2 — CID 118992645

IUPAC(1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ncccc1Cl.Cl
InChIInChI=1S/C7H9ClN2.ClH/c1-5(9)7-6(8)3-2-4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1
InChIKeyZKUOSKLBPMQQON-JEDNCBNOSA-N
MW193.08 g/mol
LogP2.18
Rot. Bonds1

About (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride

(1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride (PubChem CID 118992645) has the molecular formula C7H10Cl2N2 and a molecular weight of 193.08 g/mol. Its IUPAC name is (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride
PubChem CID118992645
Molecular FormulaC7H10Cl2N2
Molecular Weight193.08 g/mol
Exact Mass192.02
IUPAC Name(1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ncccc1Cl.Cl
InChIInChI=1S/C7H9ClN2.ClH/c1-5(9)7-6(8)3-2-4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1
InChIKeyZKUOSKLBPMQQON-JEDNCBNOSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride (CID 118992645) is (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride is C[C@H](N)c1ncccc1Cl.Cl.
What is the InChIKey of (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride?
The InChIKey is ZKUOSKLBPMQQON-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H9ClN2.ClH/c1-5(9)7-6(8)3-2-4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride?
(1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride has a molecular weight of 193.08 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-2-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 118992645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).