3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

C9H10ClF3N2O — CID 59300473

IUPAC3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C9H10ClF3N2O/c10-8-6(9(11,12)13)2-3-7(15-8)14-4-1-5-16/h2-3,16H,1,4-5H2,(H,14,15)
InChIKeyZZQKYGYGFWBEOC-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.55
Rot. Bonds4

About 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 59300473) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID59300473
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C9H10ClF3N2O/c10-8-6(9(11,12)13)2-3-7(15-8)14-4-1-5-16/h2-3,16H,1,4-5H2,(H,14,15)
InChIKeyZZQKYGYGFWBEOC-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamate;ethane
CID 177168278
1-[5-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxy-2-methylpentyl]pyrrolidine-2,5-dione
CID 87263570
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
CID 134121414
4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
3-[(6-bromo-8-chloroquinolin-2-yl)amino]propan-1-ol
CID 75445295
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-dione
CID 87263543
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
6-chloro-2-(3-hydroxypropylamino)quinoline-5-carboxylic acid
CID 118556076
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-ethyl-4-methylpyrrole-2,5-diol
CID 91127383

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (CID 59300473) is 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is OCCCNc1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is ZZQKYGYGFWBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c10-8-6(9(11,12)13)2-3-7(15-8)14-4-1-5-16/h2-3,16H,1,4-5H2,(H,14,15).
What are the key properties of 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 254.64 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 59300473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).