3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine

C14H12Cl2F2N2 — CID 102753267

IUPAC3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccc(F)c(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2F2N2/c1-2-5-19-14-10(16)7-9(15)13(20-14)8-3-4-11(17)12(18)6-8/h3-4,6-7H,2,5H2,1H3,(H,19,20)
InChIKeyBZVTXAAOSMABCY-UHFFFAOYSA-N
MW317.17 g/mol
LogP5.16
Rot. Bonds4

About 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine

3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine (PubChem CID 102753267) has the molecular formula C14H12Cl2F2N2 and a molecular weight of 317.17 g/mol. Its IUPAC name is 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
PubChem CID102753267
Molecular FormulaC14H12Cl2F2N2
Molecular Weight317.17 g/mol
Exact Mass316.03
IUPAC Name3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccc(F)c(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2F2N2/c1-2-5-19-14-10(16)7-9(15)13(20-14)8-3-4-11(17)12(18)6-8/h3-4,6-7H,2,5H2,1H3,(H,19,20)
InChIKeyBZVTXAAOSMABCY-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.17
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
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-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102753760
3,5-dichloro-6-(3-chloro-4-fluorophenyl)-N-ethylpyridin-2-amine
CID 102753798
3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine
CID 102753582
3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine
CID 102753928
3-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-5-fluorobenzonitrile
CID 102753566
2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine
CID 102752544
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
6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
CID 115504536

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine (CID 102753267) is 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine is CCCNc1nc(-c2ccc(F)c(F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine?
The InChIKey is BZVTXAAOSMABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F2N2/c1-2-5-19-14-10(16)7-9(15)13(20-14)8-3-4-11(17)12(18)6-8/h3-4,6-7H,2,5H2,1H3,(H,19,20).
What are the key properties of 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine?
3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine has a molecular weight of 317.17 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 102753267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).