3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine

C14H13F4N3 — CID 115378878

IUPAC3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine
SMILESCc1ccc(Nc2c(F)c(F)nc(F)c2F)cc1N(C)C
InChIInChI=1S/C14H13F4N3/c1-7-4-5-8(6-9(7)21(2)3)19-12-10(15)13(17)20-14(18)11(12)16/h4-6H,1-3H3,(H,19,20)
InChIKeyRESFTLKAERSFHO-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.76
Rot. Bonds3

About 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine (PubChem CID 115378878) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine
PubChem CID115378878
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine
SMILESCc1ccc(Nc2c(F)c(F)nc(F)c2F)cc1N(C)C
InChIInChI=1S/C14H13F4N3/c1-7-4-5-8(6-9(7)21(2)3)19-12-10(15)13(17)20-14(18)11(12)16/h4-6H,1-3H3,(H,19,20)
InChIKeyRESFTLKAERSFHO-UHFFFAOYSA-N
XLogP3.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine (CID 115378878) is 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine is Cc1ccc(Nc2c(F)c(F)nc(F)c2F)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine?
The InChIKey is RESFTLKAERSFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-7-4-5-8(6-9(7)21(2)3)19-12-10(15)13(17)20-14(18)11(12)16/h4-6H,1-3H3,(H,19,20).
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine has a molecular weight of 299.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzene-1,3-diamine is sourced from PubChem (CID 115378878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).