4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol

C11H14ClFN2O — CID 79727921

IUPAC4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C11H14ClFN2O/c12-7-5-10(13)11(14-6-7)15-8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4H2,(H,14,15)
InChIKeyGDOUYUZTARYKNQ-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.59
Rot. Bonds2

About 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol

4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 79727921) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID79727921
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C11H14ClFN2O/c12-7-5-10(13)11(14-6-7)15-8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4H2,(H,14,15)
InChIKeyGDOUYUZTARYKNQ-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol (CID 79727921) is 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol is OC1CCC(Nc2ncc(Cl)cc2F)CC1.
What is the InChIKey of 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is GDOUYUZTARYKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-7-5-10(13)11(14-6-7)15-8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4H2,(H,14,15).
What are the key properties of 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 244.70 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79727921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).