[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol

C12H15ClF2N2O — CID 139300333

IUPAC[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H15ClF2N2O/c13-10-5-8(7-18)6-11(17-10)16-9-1-3-12(14,15)4-2-9/h5-6,9,18H,1-4,7H2,(H,16,17)
InChIKeyJYQDKFPGTUOQHV-UHFFFAOYSA-N
MW276.71 g/mol
LogP3.22
Rot. Bonds3

About [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol

[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol (PubChem CID 139300333) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol
PubChem CID139300333
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H15ClF2N2O/c13-10-5-8(7-18)6-11(17-10)16-9-1-3-12(14,15)4-2-9/h5-6,9,18H,1-4,7H2,(H,16,17)
InChIKeyJYQDKFPGTUOQHV-UHFFFAOYSA-N
XLogP3.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol (CID 139300333) is [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol is OCc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.
What is the InChIKey of [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol?
The InChIKey is JYQDKFPGTUOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O/c13-10-5-8(7-18)6-11(17-10)16-9-1-3-12(14,15)4-2-9/h5-6,9,18H,1-4,7H2,(H,16,17).
What are the key properties of [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol?
[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol has a molecular weight of 276.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 139300333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).