5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine

C10H12ClFN2 — CID 130556137

IUPAC5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine
SMILESCC1CCC1Nc1ncc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2/c1-6-2-3-9(6)14-10-8(12)4-7(11)5-13-10/h4-6,9H,2-3H2,1H3,(H,13,14)
InChIKeyCYEXGENMTKYUEZ-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.08
Rot. Bonds2

About 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine

5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine (PubChem CID 130556137) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine
PubChem CID130556137
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine
SMILESCC1CCC1Nc1ncc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2/c1-6-2-3-9(6)14-10-8(12)4-7(11)5-13-10/h4-6,9H,2-3H2,1H3,(H,13,14)
InChIKeyCYEXGENMTKYUEZ-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine (CID 130556137) is 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine is CC1CCC1Nc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine?
The InChIKey is CYEXGENMTKYUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-6-2-3-9(6)14-10-8(12)4-7(11)5-13-10/h4-6,9H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine has a molecular weight of 214.67 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine is sourced from PubChem (CID 130556137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).