6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine

C13H14F3N5O — CID 145270347

IUPAC6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(Cc2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)22-9-3-1-2-7(5-9)4-8-6-10(17)20-12(21-19)11(8)18/h1-3,5-6H,4,18-19H2,(H3,17,20,21)
InChIKeyNCVTUKJZRUCQLJ-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.02
Rot. Bonds4

About 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine

6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine (PubChem CID 145270347) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine
PubChem CID145270347
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(Cc2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)22-9-3-1-2-7(5-9)4-8-6-10(17)20-12(21-19)11(8)18/h1-3,5-6H,4,18-19H2,(H3,17,20,21)
InChIKeyNCVTUKJZRUCQLJ-UHFFFAOYSA-N
XLogP2.02
TPSA112.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

US10214527, Example 29
CID 126678964
2-[6-(3-Methoxyphenyl)-2-pyridinyl]guanidine
CID 145956300
6-(2-Fluoro-3-methoxyphenyl)-2-pyridinamine
CID 39752363
6-(2-Fluoro-5-methoxyphenyl)pyridin-2-amine
CID 39742462
4-[4-(Trifluoromethoxy)phenyl]pyridine-2,6-diamine
CID 18313547
2-Hydrazino-6-(4-trifluoromethylphenoxy)pyridine
CID 18544786
4-[(4-Fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 20037963
6-Phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine
CID 23063783
2-Hydrazino-5-(2-fluoro-5-methoxyphenyl)-pyrazine
CID 54271296
6-[4-(Trifluoromethoxy)phenyl]pyridin-2-amine
CID 54912407
3-(2-(Trifluoromethoxy)phenyl)pyridine-2,6-diamine
CID 57582327
4-[(4-Methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
CID 67400984

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine?
The IUPAC name of 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine (CID 145270347) is 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine is NNc1nc(N)cc(Cc2cccc(OC(F)(F)F)c2)c1N.
What is the InChIKey of 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine?
The InChIKey is NCVTUKJZRUCQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c14-13(15,16)22-9-3-1-2-7(5-9)4-8-6-10(17)20-12(21-19)11(8)18/h1-3,5-6H,4,18-19H2,(H3,17,20,21).
What are the key properties of 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine?
6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine has a molecular weight of 313.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,5-diamine is sourced from PubChem (CID 145270347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).