2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine

C11H8F3N3 — CID 55129899

IUPAC2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine
SMILESNc1cccnc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C11H8F3N3/c12-6-4-8(14)10(5-7(6)13)17-11-9(15)2-1-3-16-11/h1-5H,15H2,(H,16,17)
InChIKeyCBFMCQRFCPTZQP-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.82
Rot. Bonds2

About 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine

2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine (PubChem CID 55129899) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine
PubChem CID55129899
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine
SMILESNc1cccnc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C11H8F3N3/c12-6-4-8(14)10(5-7(6)13)17-11-9(15)2-1-3-16-11/h1-5H,15H2,(H,16,17)
InChIKeyCBFMCQRFCPTZQP-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
CID 164754587
2-N-(5-chloro-2-methylphenyl)pyridine-2,3-diamine
CID 28846305
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82816630
3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
CID 102852542
2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine
CID 107596616
3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
CID 102986358
2-N-[3-(2-fluorophenyl)phenyl]pyridine-2,3-diamine
CID 22724094
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine (CID 55129899) is 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine is Nc1cccnc1Nc1cc(F)c(F)cc1F.
What is the InChIKey of 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine?
The InChIKey is CBFMCQRFCPTZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-6-4-8(14)10(5-7(6)13)17-11-9(15)2-1-3-16-11/h1-5H,15H2,(H,16,17).
What are the key properties of 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine?
2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine has a molecular weight of 239.20 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 55129899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).