6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine

C13H17ClF2N2O — CID 139300095

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine
SMILESCOCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C13H17ClF2N2O/c1-19-8-9-6-11(14)18-12(7-9)17-10-2-4-13(15,16)5-3-10/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyLBJOLBMVADIERY-UHFFFAOYSA-N
MW290.74 g/mol
LogP3.87
Rot. Bonds4

About 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine

6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine (PubChem CID 139300095) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine
PubChem CID139300095
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine
SMILESCOCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C13H17ClF2N2O/c1-19-8-9-6-11(14)18-12(7-9)17-10-2-4-13(15,16)5-3-10/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyLBJOLBMVADIERY-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine (CID 139300095) is 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine is COCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine?
The InChIKey is LBJOLBMVADIERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF2N2O/c1-19-8-9-6-11(14)18-12(7-9)17-10-2-4-13(15,16)5-3-10/h6-7,10H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine has a molecular weight of 290.74 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-4-(methoxymethyl)pyridin-2-amine is sourced from PubChem (CID 139300095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).