[6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol

C13H11ClF3N3O — CID 89240387

IUPAC[6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESNc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(CO)cn1
InChIInChI=1S/C13H11ClF3N3O/c14-8-1-2-11(10(18)3-8)20-12-4-9(13(15,16)17)7(6-21)5-19-12/h1-5,21H,6,18H2,(H,19,20)
InChIKeyNRLZCHALHCXZAX-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.57
Rot. Bonds3

About [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol

[6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 89240387) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID89240387
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name[6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESNc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(CO)cn1
InChIInChI=1S/C13H11ClF3N3O/c14-8-1-2-11(10(18)3-8)20-12-4-9(13(15,16)17)7(6-21)5-19-12/h1-5,21H,6,18H2,(H,19,20)
InChIKeyNRLZCHALHCXZAX-UHFFFAOYSA-N
XLogP3.57
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol (CID 89240387) is [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol is Nc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(CO)cn1.
What is the InChIKey of [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is NRLZCHALHCXZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c14-8-1-2-11(10(18)3-8)20-12-4-9(13(15,16)17)7(6-21)5-19-12/h1-5,21H,6,18H2,(H,19,20).
What are the key properties of [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol?
[6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 317.70 g/mol, XLogP of 3.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-4-chloroanilino)-4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 89240387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).