3-chloro-2H-pyran-2-amine;hydrochloride

C5H7Cl2NO — CID 53400312

IUPAC3-chloro-2H-pyran-2-amine;hydrochloride
SMILESCl.NC1OC=CC=C1Cl
InChIInChI=1S/C5H6ClNO.ClH/c6-4-2-1-3-8-5(4)7;/h1-3,5H,7H2;1H
InChIKeyAUTGLOVESHJPKT-UHFFFAOYSA-N
MW168.02 g/mol
LogP1.36
Rot. Bonds

About 3-chloro-2H-pyran-2-amine;hydrochloride

3-chloro-2H-pyran-2-amine;hydrochloride (PubChem CID 53400312) has the molecular formula C5H7Cl2NO and a molecular weight of 168.02 g/mol. Its IUPAC name is 3-chloro-2H-pyran-2-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-2H-pyran-2-amine;hydrochloride
PubChem CID53400312
Molecular FormulaC5H7Cl2NO
Molecular Weight168.02 g/mol
Exact Mass166.99
IUPAC Name3-chloro-2H-pyran-2-amine;hydrochloride
SMILESCl.NC1OC=CC=C1Cl
InChIInChI=1S/C5H6ClNO.ClH/c6-4-2-1-3-8-5(4)7;/h1-3,5H,7H2;1H
InChIKeyAUTGLOVESHJPKT-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.02
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2H-pyran-2-amine;hydrochloride?
The IUPAC name of 3-chloro-2H-pyran-2-amine;hydrochloride (CID 53400312) is 3-chloro-2H-pyran-2-amine;hydrochloride.
What is the SMILES notation for 3-chloro-2H-pyran-2-amine;hydrochloride?
The canonical SMILES for 3-chloro-2H-pyran-2-amine;hydrochloride is Cl.NC1OC=CC=C1Cl.
What is the InChIKey of 3-chloro-2H-pyran-2-amine;hydrochloride?
The InChIKey is AUTGLOVESHJPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO.ClH/c6-4-2-1-3-8-5(4)7;/h1-3,5H,7H2;1H.
What are the key properties of 3-chloro-2H-pyran-2-amine;hydrochloride?
3-chloro-2H-pyran-2-amine;hydrochloride has a molecular weight of 168.02 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2H-pyran-2-amine;hydrochloride is sourced from PubChem (CID 53400312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).