3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine

C13H10Cl3FN2 — CID 102750868

IUPAC3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
SMILESCCN(c1cccc(F)c1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3FN2/c1-2-19(9-5-3-4-8(17)6-9)13-11(15)7-10(14)12(16)18-13/h3-7H,2H2,1H3
InChIKeyMLQASWCLNUJPEW-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.34
Rot. Bonds3

About 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine

3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine (PubChem CID 102750868) has the molecular formula C13H10Cl3FN2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
PubChem CID102750868
Molecular FormulaC13H10Cl3FN2
Molecular Weight319.59 g/mol
Exact Mass317.99
IUPAC Name3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
SMILESCCN(c1cccc(F)c1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3FN2/c1-2-19(9-5-3-4-8(17)6-9)13-11(15)7-10(14)12(16)18-13/h3-7H,2H2,1H3
InChIKeyMLQASWCLNUJPEW-UHFFFAOYSA-N
XLogP5.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.59
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
CID 62480942
3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
CID 102985857
4-chloro-N-ethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 83157073
4-chloro-2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carbaldehyde
CID 80687160
3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
CID 63510151
3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
CID 79534994
[2-(N-ethyl-3-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383018
2-chloro-4-(N-ethyl-3-fluoroanilino)benzenecarbothioamide
CID 62947464
3-(N-ethyl-3-fluoroanilino)pyridazine-4-carbothioamide
CID 80511154
3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 102751537

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine (CID 102750868) is 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine is CCN(c1cccc(F)c1)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine?
The InChIKey is MLQASWCLNUJPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3FN2/c1-2-19(9-5-3-4-8(17)6-9)13-11(15)7-10(14)12(16)18-13/h3-7H,2H2,1H3.
What are the key properties of 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine?
3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine has a molecular weight of 319.59 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 102750868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).