N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine

C6H3Cl2F3N2 — CID 18988861

IUPACN,6-dichloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCl)nc1Cl
InChIInChI=1S/C6H3Cl2F3N2/c7-5-3(6(9,10)11)1-2-4(12-5)13-8/h1-2H,(H,12,13)
InChIKeyYQRJIMBPNVLIEH-UHFFFAOYSA-N
MW231.00 g/mol
LogP3.32
Rot. Bonds1

About N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine

N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 18988861) has the molecular formula C6H3Cl2F3N2 and a molecular weight of 231.00 g/mol. Its IUPAC name is N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,6-dichloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID18988861
Molecular FormulaC6H3Cl2F3N2
Molecular Weight231.00 g/mol
Exact Mass229.96
IUPAC NameN,6-dichloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCl)nc1Cl
InChIInChI=1S/C6H3Cl2F3N2/c7-5-3(6(9,10)11)1-2-4(12-5)13-8/h1-2H,(H,12,13)
InChIKeyYQRJIMBPNVLIEH-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.00
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine (CID 18988861) is N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCl)nc1Cl.
What is the InChIKey of N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YQRJIMBPNVLIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2/c7-5-3(6(9,10)11)1-2-4(12-5)13-8/h1-2H,(H,12,13).
What are the key properties of N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine?
N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 231.00 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dichloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 18988861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).