(2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride

C10H16Cl2N2O — CID 86811720

IUPAC(2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@H]1CCCO[C@@H]1c1ccncc1
InChIInChI=1S/C10H14N2O.2ClH/c11-9-2-1-7-13-10(9)8-3-5-12-6-4-8;;/h3-6,9-10H,1-2,7,11H2;2*1H/t9-,10+;;/m0../s1
InChIKeyDUAMXDRVMQBWPF-JXGSBULDSA-N
MW251.16 g/mol
LogP2.10
Rot. Bonds1

About (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride

(2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride (PubChem CID 86811720) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride
PubChem CID86811720
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name(2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@H]1CCCO[C@@H]1c1ccncc1
InChIInChI=1S/C10H14N2O.2ClH/c11-9-2-1-7-13-10(9)8-3-5-12-6-4-8;;/h3-6,9-10H,1-2,7,11H2;2*1H/t9-,10+;;/m0../s1
InChIKeyDUAMXDRVMQBWPF-JXGSBULDSA-N
XLogP2.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride?
The IUPAC name of (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride (CID 86811720) is (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride?
The canonical SMILES for (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride is Cl.Cl.N[C@H]1CCCO[C@@H]1c1ccncc1.
What is the InChIKey of (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride?
The InChIKey is DUAMXDRVMQBWPF-JXGSBULDSA-N. The full InChI is InChI=1S/C10H14N2O.2ClH/c11-9-2-1-7-13-10(9)8-3-5-12-6-4-8;;/h3-6,9-10H,1-2,7,11H2;2*1H/t9-,10+;;/m0../s1.
What are the key properties of (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride?
(2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-pyridin-4-yloxan-3-amine;dihydrochloride is sourced from PubChem (CID 86811720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).