(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine

C10H13ClN2O — CID 131115157

IUPAC(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine
SMILESNC(c1cncc(Cl)c1)C1CCOC1
InChIInChI=1S/C10H13ClN2O/c11-9-3-8(4-13-5-9)10(12)7-1-2-14-6-7/h3-5,7,10H,1-2,6,12H2
InChIKeyRCBPMUBPEGQYFB-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.77
Rot. Bonds2

About (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine

(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine (PubChem CID 131115157) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine
PubChem CID131115157
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine
SMILESNC(c1cncc(Cl)c1)C1CCOC1
InChIInChI=1S/C10H13ClN2O/c11-9-3-8(4-13-5-9)10(12)7-1-2-14-6-7/h3-5,7,10H,1-2,6,12H2
InChIKeyRCBPMUBPEGQYFB-UHFFFAOYSA-N
XLogP1.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine (CID 131115157) is (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine is NC(c1cncc(Cl)c1)C1CCOC1.
What is the InChIKey of (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine?
The InChIKey is RCBPMUBPEGQYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-3-8(4-13-5-9)10(12)7-1-2-14-6-7/h3-5,7,10H,1-2,6,12H2.
What are the key properties of (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine?
(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine has a molecular weight of 212.68 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 131115157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).