5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine

C11H15ClFN3 — CID 79728230

IUPAC5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C11H15ClFN3/c1-16-4-2-9(3-5-16)15-11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyOIBKOOXNVOZDOS-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.38
Rot. Bonds2

About 5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine

5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine (PubChem CID 79728230) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
PubChem CID79728230
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCC(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C11H15ClFN3/c1-16-4-2-9(3-5-16)15-11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyOIBKOOXNVOZDOS-UHFFFAOYSA-N
XLogP2.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.38
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-(1-methylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine (CID 79728230) is 5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine is CN1CCC(Nc2ncc(Cl)cc2F)CC1.
What is the InChIKey of 5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is OIBKOOXNVOZDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-16-4-2-9(3-5-16)15-11-10(13)6-8(12)7-14-11/h6-7,9H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 243.71 g/mol, XLogP of 2.38, 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-(1-methylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 79728230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).