2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile

C9H7ClF3N3O — CID 87291659

IUPAC2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(NCCO)nc1Cl
InChIInChI=1S/C9H7ClF3N3O/c10-8-5(4-14)6(9(11,12)13)3-7(16-8)15-1-2-17/h3,17H,1-2H2,(H,15,16)
InChIKeyFBZLZDVNLXGHBJ-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.03
Rot. Bonds3

About 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile

2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 87291659) has the molecular formula C9H7ClF3N3O and a molecular weight of 265.62 g/mol. Its IUPAC name is 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID87291659
Molecular FormulaC9H7ClF3N3O
Molecular Weight265.62 g/mol
Exact Mass265.02
IUPAC Name2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(NCCO)nc1Cl
InChIInChI=1S/C9H7ClF3N3O/c10-8-5(4-14)6(9(11,12)13)3-7(16-8)15-1-2-17/h3,17H,1-2H2,(H,15,16)
InChIKeyFBZLZDVNLXGHBJ-UHFFFAOYSA-N
XLogP2.03
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.03
H-Bond Donors ≤ 52
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-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 87291659) is 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(NCCO)nc1Cl.
What is the InChIKey of 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FBZLZDVNLXGHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O/c10-8-5(4-14)6(9(11,12)13)3-7(16-8)15-1-2-17/h3,17H,1-2H2,(H,15,16).
What are the key properties of 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 265.62 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-hydroxyethylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 87291659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).