[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol

C9H10ClF3N2O — CID 61254991

IUPAC[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
SMILESCN(CC(F)(F)F)c1ncc(CO)cc1Cl
InChIInChI=1S/C9H10ClF3N2O/c1-15(5-9(11,12)13)8-7(10)2-6(4-16)3-14-8/h2-3,16H,4-5H2,1H3
InChIKeyZXYJNNVXKMFOMU-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.23
Rot. Bonds3

About [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol

[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol (PubChem CID 61254991) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
PubChem CID61254991
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
SMILESCN(CC(F)(F)F)c1ncc(CO)cc1Cl
InChIInChI=1S/C9H10ClF3N2O/c1-15(5-9(11,12)13)8-7(10)2-6(4-16)3-14-8/h2-3,16H,4-5H2,1H3
InChIKeyZXYJNNVXKMFOMU-UHFFFAOYSA-N
XLogP2.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol (CID 61254991) is [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol is CN(CC(F)(F)F)c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The InChIKey is ZXYJNNVXKMFOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-15(5-9(11,12)13)8-7(10)2-6(4-16)3-14-8/h2-3,16H,4-5H2,1H3.
What are the key properties of [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol has a molecular weight of 254.64 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 61254991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).