5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine

C14H18ClFN2O — CID 133377774

IUPAC5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESFc1cc(Cl)cnc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H18ClFN2O/c15-10-7-12(16)13(17-9-10)18-11-3-6-19-14(8-11)4-1-2-5-14/h7,9,11H,1-6,8H2,(H,17,18)
InChIKeyGHJLKAVOBUBQCE-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.78
Rot. Bonds2

About 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine

5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine (PubChem CID 133377774) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
PubChem CID133377774
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESFc1cc(Cl)cnc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H18ClFN2O/c15-10-7-12(16)13(17-9-10)18-11-3-6-19-14(8-11)4-1-2-5-14/h7,9,11H,1-6,8H2,(H,17,18)
InChIKeyGHJLKAVOBUBQCE-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine (CID 133377774) is 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine is Fc1cc(Cl)cnc1NC1CCOC2(CCCC2)C1.
What is the InChIKey of 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The InChIKey is GHJLKAVOBUBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-10-7-12(16)13(17-9-10)18-11-3-6-19-14(8-11)4-1-2-5-14/h7,9,11H,1-6,8H2,(H,17,18).
What are the key properties of 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine has a molecular weight of 284.76 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine is sourced from PubChem (CID 133377774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).