[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol

C12H16ClFN2O — CID 79728347

IUPAC[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2ncc(Cl)cc2F)CCCCC1
InChIInChI=1S/C12H16ClFN2O/c13-9-6-10(14)11(15-7-9)16-12(8-17)4-2-1-3-5-12/h6-7,17H,1-5,8H2,(H,15,16)
InChIKeyQYDMGRFHMCNDFS-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.98
Rot. Bonds3

About [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol

[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 79728347) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID79728347
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2ncc(Cl)cc2F)CCCCC1
InChIInChI=1S/C12H16ClFN2O/c13-9-6-10(14)11(15-7-9)16-12(8-17)4-2-1-3-5-12/h6-7,17H,1-5,8H2,(H,15,16)
InChIKeyQYDMGRFHMCNDFS-UHFFFAOYSA-N
XLogP2.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol (CID 79728347) is [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol is OCC1(Nc2ncc(Cl)cc2F)CCCCC1.
What is the InChIKey of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is QYDMGRFHMCNDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-9-6-10(14)11(15-7-9)16-12(8-17)4-2-1-3-5-12/h6-7,17H,1-5,8H2,(H,15,16).
What are the key properties of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol?
[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 258.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79728347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).