1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C12H16ClFN2O — CID 79727848

IUPAC1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2ncc(Cl)cc2F)CCCCC1
InChIInChI=1S/C12H16ClFN2O/c13-9-6-10(14)11(15-7-9)16-8-12(17)4-2-1-3-5-12/h6-7,17H,1-5,8H2,(H,15,16)
InChIKeySTIMTHYHOCBOMR-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.98
Rot. Bonds3

About 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 79727848) 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]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID79727848
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2ncc(Cl)cc2F)CCCCC1
InChIInChI=1S/C12H16ClFN2O/c13-9-6-10(14)11(15-7-9)16-8-12(17)4-2-1-3-5-12/h6-7,17H,1-5,8H2,(H,15,16)
InChIKeySTIMTHYHOCBOMR-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]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 79727848) is 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is OC1(CNc2ncc(Cl)cc2F)CCCCC1.
What is the InChIKey of 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is STIMTHYHOCBOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-9-6-10(14)11(15-7-9)16-8-12(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]methyl]cyclohexan-1-ol?
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol 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]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79727848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).