1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol

C8H7Cl2F3N2O — CID 15067168

IUPAC1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol
SMILESNc1c(C(F)(F)F)cc(C(O)CCl)nc1Cl
InChIInChI=1S/C8H7Cl2F3N2O/c9-2-5(16)4-1-3(8(11,12)13)6(14)7(10)15-4/h1,5,16H,2,14H2
InChIKeyMPGUDHOBLOELHK-UHFFFAOYSA-N
MW275.06 g/mol
LogP2.61
Rot. Bonds2

About 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol

1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol (PubChem CID 15067168) has the molecular formula C8H7Cl2F3N2O and a molecular weight of 275.06 g/mol. Its IUPAC name is 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol.

Molecular Properties

Compound Name1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol
PubChem CID15067168
Molecular FormulaC8H7Cl2F3N2O
Molecular Weight275.06 g/mol
Exact Mass273.99
IUPAC Name1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol
SMILESNc1c(C(F)(F)F)cc(C(O)CCl)nc1Cl
InChIInChI=1S/C8H7Cl2F3N2O/c9-2-5(16)4-1-3(8(11,12)13)6(14)7(10)15-4/h1,5,16H,2,14H2
InChIKeyMPGUDHOBLOELHK-UHFFFAOYSA-N
XLogP2.61
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol?
The IUPAC name of 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol (CID 15067168) is 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol.
What is the SMILES notation for 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol?
The canonical SMILES for 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol is Nc1c(C(F)(F)F)cc(C(O)CCl)nc1Cl.
What is the InChIKey of 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol?
The InChIKey is MPGUDHOBLOELHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F3N2O/c9-2-5(16)4-1-3(8(11,12)13)6(14)7(10)15-4/h1,5,16H,2,14H2.
What are the key properties of 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol?
1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol has a molecular weight of 275.06 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-chloroethanol is sourced from PubChem (CID 15067168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).