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

C13H12Cl2FN3 — CID 104535660

IUPAC5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C13H12Cl2FN3/c1-2-18-9-5-10(7-17-6-9)19-13-11(14)3-8(16)4-12(13)15/h3-7,18-19H,2H2,1H3
InChIKeyWSABCURLJBTARB-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.70
Rot. Bonds4

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

5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 104535660) has the molecular formula C13H12Cl2FN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID104535660
Molecular FormulaC13H12Cl2FN3
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C13H12Cl2FN3/c1-2-18-9-5-10(7-17-6-9)19-13-11(14)3-8(16)4-12(13)15/h3-7,18-19H,2H2,1H3
InChIKeyWSABCURLJBTARB-UHFFFAOYSA-N
XLogP4.70
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532128
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
CID 113423980
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
5-N-ethylpyridine-3,5-diamine
CID 104532571
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
2-N-(2,6-dichloro-4-fluorophenyl)-6-N-methylpyrazine-2,6-diamine
CID 83082157

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine (CID 104535660) is 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2c(Cl)cc(F)cc2Cl)c1.
What is the InChIKey of 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is WSABCURLJBTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3/c1-2-18-9-5-10(7-17-6-9)19-13-11(14)3-8(16)4-12(13)15/h3-7,18-19H,2H2,1H3.
What are the key properties of 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 300.16 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104535660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).