1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine

C7H6ClF3N2 — CID 138109393

IUPAC1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c8-4-1-2-5(13-3-4)6(12)7(9,10)11/h1-3,6H,12H2
InChIKeyDCMCVCGNRXHOPA-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.30
Rot. Bonds1

About 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine

1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine (PubChem CID 138109393) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine
PubChem CID138109393
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c8-4-1-2-5(13-3-4)6(12)7(9,10)11/h1-3,6H,12H2
InChIKeyDCMCVCGNRXHOPA-UHFFFAOYSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine (CID 138109393) is 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine is NC(c1ccc(Cl)cn1)C(F)(F)F.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine?
The InChIKey is DCMCVCGNRXHOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-4-1-2-5(13-3-4)6(12)7(9,10)11/h1-3,6H,12H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine?
1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine has a molecular weight of 210.59 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 138109393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).