N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine

C14H14BrN3 — CID 9121657

IUPACN-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine
SMILESCC/C(=N/Nc1ccccn1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrN3/c1-2-13(11-6-5-7-12(15)10-11)17-18-14-8-3-4-9-16-14/h3-10H,2H2,1H3,(H,16,18)/b17-13-
InChIKeyLSYGONKTSRYUMN-LGMDPLHJSA-N
MW304.19 g/mol
LogP4.07
Rot. Bonds4

About N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine

N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine (PubChem CID 9121657) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine
PubChem CID9121657
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC NameN-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine
SMILESCC/C(=N/Nc1ccccn1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrN3/c1-2-13(11-6-5-7-12(15)10-11)17-18-14-8-3-4-9-16-14/h3-10H,2H2,1H3,(H,16,18)/b17-13-
InChIKeyLSYGONKTSRYUMN-LGMDPLHJSA-N
XLogP4.07
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine?
The IUPAC name of N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine (CID 9121657) is N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine is CC/C(=N/Nc1ccccn1)c1cccc(Br)c1.
What is the InChIKey of N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine?
The InChIKey is LSYGONKTSRYUMN-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-2-13(11-6-5-7-12(15)10-11)17-18-14-8-3-4-9-16-14/h3-10H,2H2,1H3,(H,16,18)/b17-13-.
What are the key properties of N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine?
N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine has a molecular weight of 304.19 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine is sourced from PubChem (CID 9121657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).