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

C14H10Br2N4 — CID 172990751

IUPAC5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine
SMILESBrc1ccc(N/N=C/c2c[nH]c3ccc(Br)cc23)nc1
InChIInChI=1S/C14H10Br2N4/c15-10-1-3-13-12(5-10)9(6-17-13)7-19-20-14-4-2-11(16)8-18-14/h1-8,17H,(H,18,20)/b19-7+
InChIKeyXDUCTGFVFJBHFS-FBCYGCLPSA-N
MW394.07 g/mol
LogP4.53
Rot. Bonds3

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

5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine (PubChem CID 172990751) has the molecular formula C14H10Br2N4 and a molecular weight of 394.07 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine
PubChem CID172990751
Molecular FormulaC14H10Br2N4
Molecular Weight394.07 g/mol
Exact Mass391.93
IUPAC Name5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine
SMILESBrc1ccc(N/N=C/c2c[nH]c3ccc(Br)cc23)nc1
InChIInChI=1S/C14H10Br2N4/c15-10-1-3-13-12(5-10)9(6-17-13)7-19-20-14-4-2-11(16)8-18-14/h1-8,17H,(H,18,20)/b19-7+
InChIKeyXDUCTGFVFJBHFS-FBCYGCLPSA-N
XLogP4.53
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.53
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

N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 136732774
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135755129
1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
CID 135788219
N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine
CID 135549675
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
CID 136773544
N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine
CID 70641725
2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
CID 135460270
5-[(2Z)-2-[(5-bromo-1H-indol-3-yl)methylidene]hydrazinyl]-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
CID 136822669
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135489043
1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135689914
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine (CID 172990751) is 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine is Brc1ccc(N/N=C/c2c[nH]c3ccc(Br)cc23)nc1.
What is the InChIKey of 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine?
The InChIKey is XDUCTGFVFJBHFS-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H10Br2N4/c15-10-1-3-13-12(5-10)9(6-17-13)7-19-20-14-4-2-11(16)8-18-14/h1-8,17H,(H,18,20)/b19-7+.
What are the key properties of 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine?
5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine has a molecular weight of 394.07 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 172990751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).