N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine

C12H9ClF4N4 — CID 107371209

IUPACN-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
SMILESNNc1cc(C(F)(F)F)cc(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C12H9ClF4N4/c13-7-3-8(14)5-9(4-7)19-10-1-6(12(15,16)17)2-11(20-10)21-18/h1-5H,18H2,(H2,19,20,21)
InChIKeyBESGWSMVXJMPBQ-UHFFFAOYSA-N
MW320.68 g/mol
LogP3.92
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine

N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 107371209) has the molecular formula C12H9ClF4N4 and a molecular weight of 320.68 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID107371209
Molecular FormulaC12H9ClF4N4
Molecular Weight320.68 g/mol
Exact Mass320.05
IUPAC NameN-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
SMILESNNc1cc(C(F)(F)F)cc(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C12H9ClF4N4/c13-7-3-8(14)5-9(4-7)19-10-1-6(12(15,16)17)2-11(20-10)21-18/h1-5H,18H2,(H2,19,20,21)
InChIKeyBESGWSMVXJMPBQ-UHFFFAOYSA-N
XLogP3.92
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.68
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720564
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
N-(2,4-difluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720931
N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 107371189
4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 107371108
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720917
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968503
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 116700654
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720734
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine (CID 107371209) is N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine is NNc1cc(C(F)(F)F)cc(Nc2cc(F)cc(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BESGWSMVXJMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N4/c13-7-3-8(14)5-9(4-7)19-10-1-6(12(15,16)17)2-11(20-10)21-18/h1-5H,18H2,(H2,19,20,21).
What are the key properties of N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 320.68 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107371209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).