3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine

C14H11Cl2F3N2 — CID 102753760

IUPAC3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESCCCNc1nc(-c2cc(F)c(F)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2/c1-2-3-20-14-9(16)5-8(15)13(21-14)7-4-11(18)12(19)6-10(7)17/h4-6H,2-3H2,1H3,(H,20,21)
InChIKeyOBGTYYFFAJIQHW-UHFFFAOYSA-N
MW335.16 g/mol
LogP5.29
Rot. Bonds4

About 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine

3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine (PubChem CID 102753760) has the molecular formula C14H11Cl2F3N2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
PubChem CID102753760
Molecular FormulaC14H11Cl2F3N2
Molecular Weight335.16 g/mol
Exact Mass334.03
IUPAC Name3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESCCCNc1nc(-c2cc(F)c(F)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2/c1-2-3-20-14-9(16)5-8(15)13(21-14)7-4-11(18)12(19)6-10(7)17/h4-6H,2-3H2,1H3,(H,20,21)
InChIKeyOBGTYYFFAJIQHW-UHFFFAOYSA-N
XLogP5.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.16
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
CID 102753661
3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
CID 102753267
3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine
CID 102753928
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
3,5-dichloro-6-(3-methyl-4-pyridinyl)-N-propylpyridin-2-amine
CID 102753551
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine
CID 102753546
3-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-5-fluorobenzonitrile
CID 102753566
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
CID 103341839

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine (CID 102753760) is 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine is CCCNc1nc(-c2cc(F)c(F)cc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine?
The InChIKey is OBGTYYFFAJIQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2/c1-2-3-20-14-9(16)5-8(15)13(21-14)7-4-11(18)12(19)6-10(7)17/h4-6H,2-3H2,1H3,(H,20,21).
What are the key properties of 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine?
3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine has a molecular weight of 335.16 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine is sourced from PubChem (CID 102753760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).