[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol

C13H18ClFN2O — CID 79728348

IUPAC[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C13H18ClFN2O/c1-9-2-4-13(8-18,5-3-9)17-12-11(15)6-10(14)7-16-12/h6-7,9,18H,2-5,8H2,1H3,(H,16,17)
InChIKeyIIXZTYHUPORRTJ-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.23
Rot. Bonds3

About [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol

[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol (PubChem CID 79728348) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
PubChem CID79728348
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C13H18ClFN2O/c1-9-2-4-13(8-18,5-3-9)17-12-11(15)6-10(14)7-16-12/h6-7,9,18H,2-5,8H2,1H3,(H,16,17)
InChIKeyIIXZTYHUPORRTJ-UHFFFAOYSA-N
XLogP3.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.23
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]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol (CID 79728348) is [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(Nc2ncc(Cl)cc2F)CC1.
What is the InChIKey of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is IIXZTYHUPORRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-9-2-4-13(8-18,5-3-9)17-12-11(15)6-10(14)7-16-12/h6-7,9,18H,2-5,8H2,1H3,(H,16,17).
What are the key properties of [1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol?
[1-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 272.75 g/mol, XLogP of 3.23, 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]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 79728348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).