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

C14H18ClF3N2O — CID 62526529

IUPAC[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H18ClF3N2O/c1-9-2-4-13(8-21,5-3-9)20-12-11(15)6-10(7-19-12)14(16,17)18/h6-7,9,21H,2-5,8H2,1H3,(H,19,20)
InChIKeySJKMHQUHDCWGPQ-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.11
Rot. Bonds3

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

[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol (PubChem CID 62526529) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol
PubChem CID62526529
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H18ClF3N2O/c1-9-2-4-13(8-21,5-3-9)20-12-11(15)6-10(7-19-12)14(16,17)18/h6-7,9,21H,2-5,8H2,1H3,(H,19,20)
InChIKeySJKMHQUHDCWGPQ-UHFFFAOYSA-N
XLogP4.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol (CID 62526529) is [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(Nc2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol?
The InChIKey is SJKMHQUHDCWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-9-2-4-13(8-21,5-3-9)20-12-11(15)6-10(7-19-12)14(16,17)18/h6-7,9,21H,2-5,8H2,1H3,(H,19,20).
What are the key properties of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol?
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol has a molecular weight of 322.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62526529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).