4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine

C13H13ClF3N5O — CID 126679932

IUPAC4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2cc(C(F)(F)F)ccc2Cl)c1N
InChIInChI=1S/C13H13ClF3N5O/c14-8-2-1-7(13(15,16)17)3-6(8)5-23-9-4-10(18)21-12(22-20)11(9)19/h1-4H,5,19-20H2,(H3,18,21,22)
InChIKeyMDZZPBCSRCXPLU-UHFFFAOYSA-N
MW347.73 g/mol
LogP2.78
Rot. Bonds4

About 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine

4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126679932) has the molecular formula C13H13ClF3N5O and a molecular weight of 347.73 g/mol. Its IUPAC name is 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126679932
Molecular FormulaC13H13ClF3N5O
Molecular Weight347.73 g/mol
Exact Mass347.08
IUPAC Name4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2cc(C(F)(F)F)ccc2Cl)c1N
InChIInChI=1S/C13H13ClF3N5O/c14-8-2-1-7(13(15,16)17)3-6(8)5-23-9-4-10(18)21-12(22-20)11(9)19/h1-4H,5,19-20H2,(H3,18,21,22)
InChIKeyMDZZPBCSRCXPLU-UHFFFAOYSA-N
XLogP2.78
TPSA112.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 52.78
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

7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648819
3-[(4-Chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
CID 126648870
3-[(4-Chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
CID 126649083
4-[(2,6-Difluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678665
6-Hydrazinyl-4-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678773
7-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678778
4-[[4-(Difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678797
4-[[3-(3-Fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678820
6-Hydrazinyl-4-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678829
4-[2,2-Difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678850
3-[2-(4-Chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
CID 126678859
4-[[2-Fluoro-5-(3-fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678862

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine (CID 126679932) is 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(OCc2cc(C(F)(F)F)ccc2Cl)c1N.
What is the InChIKey of 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is MDZZPBCSRCXPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N5O/c14-8-2-1-7(13(15,16)17)3-6(8)5-23-9-4-10(18)21-12(22-20)11(9)19/h1-4H,5,19-20H2,(H3,18,21,22).
What are the key properties of 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 347.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126679932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).