2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

C9H10ClF3N2O — CID 102715502

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C9H10ClF3N2O/c1-5(4-16)14-8-3-6(9(11,12)13)2-7(10)15-8/h2-3,5,16H,4H2,1H3,(H,14,15)
InChIKeyOVBVKWFPZRFASX-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.55
Rot. Bonds3

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 102715502) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID102715502
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C9H10ClF3N2O/c1-5(4-16)14-8-3-6(9(11,12)13)2-7(10)15-8/h2-3,5,16H,4H2,1H3,(H,14,15)
InChIKeyOVBVKWFPZRFASX-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (CID 102715502) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is CC(CO)Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is OVBVKWFPZRFASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-5(4-16)14-8-3-6(9(11,12)13)2-7(10)15-8/h2-3,5,16H,4H2,1H3,(H,14,15).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 254.64 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 102715502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).