3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine

C14H13Cl3FN3 — CID 102756873

IUPAC3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccc(Cl)c(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl3FN3/c1-2-5-19-13-10(16)7-11(17)14(21-13)20-8-3-4-9(15)12(18)6-8/h3-4,6-7H,2,5H2,1H3,(H2,19,20,21)
InChIKeyHJSFFTLBPWJPIR-UHFFFAOYSA-N
MW348.64 g/mol
LogP5.75
Rot. Bonds5

About 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102756873) has the molecular formula C14H13Cl3FN3 and a molecular weight of 348.64 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID102756873
Molecular FormulaC14H13Cl3FN3
Molecular Weight348.64 g/mol
Exact Mass347.02
IUPAC Name3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccc(Cl)c(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl3FN3/c1-2-5-19-13-10(16)7-11(17)14(21-13)20-8-3-4-9(15)12(18)6-8/h3-4,6-7H,2,5H2,1H3,(H2,19,20,21)
InChIKeyHJSFFTLBPWJPIR-UHFFFAOYSA-N
XLogP5.75
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.64
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755202
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
6-N-(3-bromo-4-fluorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759804
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
CID 102757849
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272
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
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine (CID 102756873) is 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(Nc2ccc(Cl)c(F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is HJSFFTLBPWJPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3FN3/c1-2-5-19-13-10(16)7-11(17)14(21-13)20-8-3-4-9(15)12(18)6-8/h3-4,6-7H,2,5H2,1H3,(H2,19,20,21).
What are the key properties of 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 348.64 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102756873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).