3-chloro-2H-pyran-2-amine

C5H6ClNO — CID 53400313

IUPAC3-chloro-2H-pyran-2-amine
SMILESNC1OC=CC=C1Cl
InChIInChI=1S/C5H6ClNO/c6-4-2-1-3-8-5(4)7/h1-3,5H,7H2
InChIKeyLSYPVNHPFUQGON-UHFFFAOYSA-N
MW131.56 g/mol
LogP0.94
Rot. Bonds

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

3-chloro-2H-pyran-2-amine (PubChem CID 53400313) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 3-chloro-2H-pyran-2-amine.

Molecular Properties

Compound Name3-chloro-2H-pyran-2-amine
PubChem CID53400313
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name3-chloro-2H-pyran-2-amine
SMILESNC1OC=CC=C1Cl
InChIInChI=1S/C5H6ClNO/c6-4-2-1-3-8-5(4)7/h1-3,5H,7H2
InChIKeyLSYPVNHPFUQGON-UHFFFAOYSA-N
XLogP0.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 50.94
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?
The IUPAC name of 3-chloro-2H-pyran-2-amine (CID 53400313) is 3-chloro-2H-pyran-2-amine.
What is the SMILES notation for 3-chloro-2H-pyran-2-amine?
The canonical SMILES for 3-chloro-2H-pyran-2-amine is NC1OC=CC=C1Cl.
What is the InChIKey of 3-chloro-2H-pyran-2-amine?
The InChIKey is LSYPVNHPFUQGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c6-4-2-1-3-8-5(4)7/h1-3,5H,7H2.
What are the key properties of 3-chloro-2H-pyran-2-amine?
3-chloro-2H-pyran-2-amine has a molecular weight of 131.56 g/mol, XLogP of 0.94, 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 is sourced from PubChem (CID 53400313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).