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

C12H16ClFN2 — CID 79727214

IUPAC5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine
SMILESCC1CCC(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C12H16ClFN2/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyRRUXSXSFVANNNX-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.86
Rot. Bonds2

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

5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine (PubChem CID 79727214) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine
PubChem CID79727214
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine
SMILESCC1CCC(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C12H16ClFN2/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyRRUXSXSFVANNNX-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.86
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-methylcyclohexyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine (CID 79727214) is 5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine is CC1CCC(Nc2ncc(Cl)cc2F)CC1.
What is the InChIKey of 5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine?
The InChIKey is RRUXSXSFVANNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine has a molecular weight of 242.72 g/mol, XLogP of 3.86, 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-(4-methylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 79727214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).