[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol

C13H18F2N2O — CID 112675954

IUPAC[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1ncc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c14-11-5-12(15)13(17-7-11)16-6-9-3-1-2-4-10(9)8-18/h5,7,9-10,18H,1-4,6,8H2,(H,16,17)
InChIKeyQDHRYFCZJISVMQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.57
Rot. Bonds4

About [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol

[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol (PubChem CID 112675954) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
PubChem CID112675954
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1ncc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c14-11-5-12(15)13(17-7-11)16-6-9-3-1-2-4-10(9)8-18/h5,7,9-10,18H,1-4,6,8H2,(H,16,17)
InChIKeyQDHRYFCZJISVMQ-UHFFFAOYSA-N
XLogP2.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676581
3,5-difluoro-N-[(2-methylcyclopentyl)methyl]pyridin-2-amine
CID 107419343
4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130548
[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 79076621
N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
CID 114047966
3-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 112675958
[2-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 66278240
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 104535105
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 102751354
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114178774
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945

Frequently Asked Questions

What is the IUPAC name of [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol (CID 112675954) is [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol is OCC1CCCCC1CNc1ncc(F)cc1F.
What is the InChIKey of [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is QDHRYFCZJISVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-11-5-12(15)13(17-7-11)16-6-9-3-1-2-4-10(9)8-18/h5,7,9-10,18H,1-4,6,8H2,(H,16,17).
What are the key properties of [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 256.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 112675954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).