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

C14H12Cl3FN2 — CID 102753661

IUPAC3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccc(Cl)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3FN2/c1-2-5-19-14-11(17)7-10(16)13(20-14)9-4-3-8(15)6-12(9)18/h3-4,6-7H,2,5H2,1H3,(H,19,20)
InChIKeyLIQPIDSKBGYIIY-UHFFFAOYSA-N
MW333.62 g/mol
LogP5.67
Rot. Bonds4

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

3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine (PubChem CID 102753661) has the molecular formula C14H12Cl3FN2 and a molecular weight of 333.62 g/mol. Its IUPAC name is 3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
PubChem CID102753661
Molecular FormulaC14H12Cl3FN2
Molecular Weight333.62 g/mol
Exact Mass332.01
IUPAC Name3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccc(Cl)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3FN2/c1-2-5-19-14-11(17)7-10(16)13(20-14)9-4-3-8(15)6-12(9)18/h3-4,6-7H,2,5H2,1H3,(H,19,20)
InChIKeyLIQPIDSKBGYIIY-UHFFFAOYSA-N
XLogP5.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.62
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102753760
3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine
CID 102753928
3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
CID 102753267
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-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine
CID 102753546
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
CID 103341839
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
3,5-dichloro-6-(3-chloro-4-fluorophenyl)-N-ethylpyridin-2-amine
CID 102753798

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine (CID 102753661) is 3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine is CCCNc1nc(-c2ccc(Cl)cc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine?
The InChIKey is LIQPIDSKBGYIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3FN2/c1-2-5-19-14-11(17)7-10(16)13(20-14)9-4-3-8(15)6-12(9)18/h3-4,6-7H,2,5H2,1H3,(H,19,20).
What are the key properties of 3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine?
3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine has a molecular weight of 333.62 g/mol, XLogP of 5.67, 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-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 102753661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).