2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol

C10H12ClF3N2O — CID 71844216

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N2O/c1-6(5-17)16(2)9-8(11)3-7(4-15-9)10(12,13)14/h3-4,6,17H,5H2,1-2H3
InChIKeyWQCSIOKJJWGPNF-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.57
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol (PubChem CID 71844216) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
PubChem CID71844216
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N2O/c1-6(5-17)16(2)9-8(11)3-7(4-15-9)10(12,13)14/h3-4,6,17H,5H2,1-2H3
InChIKeyWQCSIOKJJWGPNF-UHFFFAOYSA-N
XLogP2.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol (CID 71844216) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol is CC(CO)N(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The InChIKey is WQCSIOKJJWGPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-6(5-17)16(2)9-8(11)3-7(4-15-9)10(12,13)14/h3-4,6,17H,5H2,1-2H3.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol has a molecular weight of 268.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol is sourced from PubChem (CID 71844216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).