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

C11H16ClFN2 — CID 79728229

IUPAC5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
SMILESCC(C)CC(C)Nc1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2/c1-7(2)4-8(3)15-11-10(13)5-9(12)6-14-11/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyRMNOFIZDCFCVDW-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.72
Rot. Bonds4

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

5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine (PubChem CID 79728229) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
PubChem CID79728229
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
SMILESCC(C)CC(C)Nc1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2/c1-7(2)4-8(3)15-11-10(13)5-9(12)6-14-11/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyRMNOFIZDCFCVDW-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.72
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-(4-methylpentan-2-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine (CID 79728229) is 5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine is CC(C)CC(C)Nc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine?
The InChIKey is RMNOFIZDCFCVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-7(2)4-8(3)15-11-10(13)5-9(12)6-14-11/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine?
5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine has a molecular weight of 230.71 g/mol, XLogP of 3.72, 4 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-(4-methylpentan-2-yl)pyridin-2-amine is sourced from PubChem (CID 79728229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).