(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

C11H13ClN2O — CID 103443841

IUPAC(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1ncccc1Cl
InChIInChI=1S/C11H13ClN2O/c12-8-4-3-6-14-11(8)10(13)9-5-1-2-7-15-9/h3-6,10H,1-2,7,13H2
InChIKeyJUNVKCSFRLHRLK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.43
Rot. Bonds2

About (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 103443841) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID103443841
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1ncccc1Cl
InChIInChI=1S/C11H13ClN2O/c12-8-4-3-6-14-11(8)10(13)9-5-1-2-7-15-9/h3-6,10H,1-2,7,13H2
InChIKeyJUNVKCSFRLHRLK-UHFFFAOYSA-N
XLogP2.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 103443841) is (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is JUNVKCSFRLHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-8-4-3-6-14-11(8)10(13)9-5-1-2-7-15-9/h3-6,10H,1-2,7,13H2.
What are the key properties of (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 224.69 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 103443841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).