2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol

C11H15ClF3N3O — CID 89013293

IUPAC2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cc(C(F)(F)F)c(N)c(Cl)n1
InChIInChI=1S/C11H15ClF3N3O/c1-5(2)7(4-19)17-8-3-6(11(13,14)15)9(16)10(12)18-8/h3,5,7,19H,4,16H2,1-2H3,(H,17,18)
InChIKeyHHVPGSZEVWZIBI-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.76
Rot. Bonds4

About 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol

2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 89013293) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID89013293
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cc(C(F)(F)F)c(N)c(Cl)n1
InChIInChI=1S/C11H15ClF3N3O/c1-5(2)7(4-19)17-8-3-6(11(13,14)15)9(16)10(12)18-8/h3,5,7,19H,4,16H2,1-2H3,(H,17,18)
InChIKeyHHVPGSZEVWZIBI-UHFFFAOYSA-N
XLogP2.76
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 89013293) is 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1cc(C(F)(F)F)c(N)c(Cl)n1.
What is the InChIKey of 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is HHVPGSZEVWZIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-5(2)7(4-19)17-8-3-6(11(13,14)15)9(16)10(12)18-8/h3,5,7,19H,4,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol has a molecular weight of 297.71 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 89013293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).