N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C14H11Cl2F3N4O2 — CID 2765666

IUPACN-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESO=[N+]([O-])c1cccc(Cl)c1NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N4O2/c15-9-2-1-3-11(23(24)25)12(9)20-4-5-21-13-10(16)6-8(7-22-13)14(17,18)19/h1-3,6-7,20H,4-5H2,(H,21,22)
InChIKeyYVPUHCJLDDRJSF-UHFFFAOYSA-N
MW395.17 g/mol
LogP4.84
Rot. Bonds6

About N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 2765666) has the molecular formula C14H11Cl2F3N4O2 and a molecular weight of 395.17 g/mol. Its IUPAC name is N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID2765666
Molecular FormulaC14H11Cl2F3N4O2
Molecular Weight395.17 g/mol
Exact Mass394.02
IUPAC NameN-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESO=[N+]([O-])c1cccc(Cl)c1NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N4O2/c15-9-2-1-3-11(23(24)25)12(9)20-4-5-21-13-10(16)6-8(7-22-13)14(17,18)19/h1-3,6-7,20H,4-5H2,(H,21,22)
InChIKeyYVPUHCJLDDRJSF-UHFFFAOYSA-N
XLogP4.84
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.17
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Fluazinam
CID 91731
Fluazinam-2-amino
CID 76308617
N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
CID 3146292
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(2-nitrophenyl)-1,2-ethanediamine
CID 3704436
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(3-nitro-2-pyridinyl)-1,2-ethanediamine
CID 3773884
6-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-nitropyridin-2-amine
CID 145993995
N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 3097922
N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine
CID 2804600
N-(4-Chlorophenyl)-5-nitro-2-pyridineamine
CID 2842437
8-Chloro-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,4-dihydro-2,3-quinoxalinedione
CID 1475624
N~1~-(4-chloro-2-nitrophenyl)-N~2~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine
CID 2765671
3-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 12812459

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 2765666) is N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is O=[N+]([O-])c1cccc(Cl)c1NCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is YVPUHCJLDDRJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N4O2/c15-9-2-1-3-11(23(24)25)12(9)20-4-5-21-13-10(16)6-8(7-22-13)14(17,18)19/h1-3,6-7,20H,4-5H2,(H,21,22).
What are the key properties of N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 395.17 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 2765666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).