2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol

C10H12ClF3N2O — CID 43388767

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N2O/c1-2-7(5-17)16-9-8(11)3-6(4-15-9)10(12,13)14/h3-4,7,17H,2,5H2,1H3,(H,15,16)
InChIKeyXGBLAOJRBPYUJT-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.94
Rot. Bonds4

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol (PubChem CID 43388767) 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]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
PubChem CID43388767
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N2O/c1-2-7(5-17)16-9-8(11)3-6(4-15-9)10(12,13)14/h3-4,7,17H,2,5H2,1H3,(H,15,16)
InChIKeyXGBLAOJRBPYUJT-UHFFFAOYSA-N
XLogP2.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol (CID 43388767) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol is CCC(CO)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The InChIKey is XGBLAOJRBPYUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-2-7(5-17)16-9-8(11)3-6(4-15-9)10(12,13)14/h3-4,7,17H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol has a molecular weight of 268.67 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 43388767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).