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

C14H15ClFN3 — CID 107531766

IUPAC6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-2-8-17-13-4-3-5-14(19-13)18-12-9-10(16)6-7-11(12)15/h3-7,9H,2,8H2,1H3,(H2,17,18,19)
InChIKeyPLJITAGZZUBCJJ-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.44
Rot. Bonds5

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

6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 107531766) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID107531766
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-2-8-17-13-4-3-5-14(19-13)18-12-9-10(16)6-7-11(12)15/h3-7,9H,2,8H2,1H3,(H2,17,18,19)
InChIKeyPLJITAGZZUBCJJ-UHFFFAOYSA-N
XLogP4.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine (CID 107531766) is 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is PLJITAGZZUBCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-8-17-13-4-3-5-14(19-13)18-12-9-10(16)6-7-11(12)15/h3-7,9H,2,8H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 279.75 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 107531766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).