N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C15H10BrF3N4 — CID 136732774

IUPACN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C\c2c[nH]c3ccc(Br)cc23)nc1
InChIInChI=1S/C15H10BrF3N4/c16-11-2-3-13-12(5-11)9(6-20-13)7-22-23-14-4-1-10(8-21-14)15(17,18)19/h1-8,20H,(H,21,23)/b22-7-
InChIKeyYDYYRDJQBSTFSO-HOEBFWFUSA-N
MW383.17 g/mol
LogP4.79
Rot. Bonds3

About N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 136732774) has the molecular formula C15H10BrF3N4 and a molecular weight of 383.17 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID136732774
Molecular FormulaC15H10BrF3N4
Molecular Weight383.17 g/mol
Exact Mass382.00
IUPAC NameN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C\c2c[nH]c3ccc(Br)cc23)nc1
InChIInChI=1S/C15H10BrF3N4/c16-11-2-3-13-12(5-11)9(6-20-13)7-22-23-14-4-1-10(8-21-14)15(17,18)19/h1-8,20H,(H,21,23)/b22-7-
InChIKeyYDYYRDJQBSTFSO-HOEBFWFUSA-N
XLogP4.79
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.17
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 172990751
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4854807
N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126082411
4-bromo-2-nitro-6-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 137043402
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126070396
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
N-[(Z)-(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126075676
N-[[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 2322247
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 136732774) is N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(N/N=C\c2c[nH]c3ccc(Br)cc23)nc1.
What is the InChIKey of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YDYYRDJQBSTFSO-HOEBFWFUSA-N. The full InChI is InChI=1S/C15H10BrF3N4/c16-11-2-3-13-12(5-11)9(6-20-13)7-22-23-14-4-1-10(8-21-14)15(17,18)19/h1-8,20H,(H,21,23)/b22-7-.
What are the key properties of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 383.17 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 136732774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).