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

C10H12ClF3N2O — CID 55008687

IUPAC[5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
SMILESCCN(CC(F)(F)F)c1ncc(CO)cc1Cl
InChIInChI=1S/C10H12ClF3N2O/c1-2-16(6-10(12,13)14)9-8(11)3-7(5-17)4-15-9/h3-4,17H,2,5-6H2,1H3
InChIKeyKRFPOVSMNVWLCS-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.62
Rot. Bonds4

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

[5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol (PubChem CID 55008687) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
PubChem CID55008687
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name[5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
SMILESCCN(CC(F)(F)F)c1ncc(CO)cc1Cl
InChIInChI=1S/C10H12ClF3N2O/c1-2-16(6-10(12,13)14)9-8(11)3-7(5-17)4-15-9/h3-4,17H,2,5-6H2,1H3
InChIKeyKRFPOVSMNVWLCS-UHFFFAOYSA-N
XLogP2.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol (CID 55008687) is [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol is CCN(CC(F)(F)F)c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
The InChIKey is KRFPOVSMNVWLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-2-16(6-10(12,13)14)9-8(11)3-7(5-17)4-15-9/h3-4,17H,2,5-6H2,1H3.
What are the key properties of [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol?
[5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol has a molecular weight of 268.67 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 55008687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).