N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine

C12H10BrN3 — CID 70641725

IUPACN-[(Z)-benzylideneamino]-5-bromopyridin-2-amine
SMILESBrc1ccc(N/N=C\c2ccccc2)nc1
InChIInChI=1S/C12H10BrN3/c13-11-6-7-12(14-9-11)16-15-8-10-4-2-1-3-5-10/h1-9H,(H,14,16)/b15-8-
InChIKeyXWGMSCGHUBAOFF-NVNXTCNLSA-N
MW276.14 g/mol
LogP3.29
Rot. Bonds3

About N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine

N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine (PubChem CID 70641725) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-5-bromopyridin-2-amine
PubChem CID70641725
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC NameN-[(Z)-benzylideneamino]-5-bromopyridin-2-amine
SMILESBrc1ccc(N/N=C\c2ccccc2)nc1
InChIInChI=1S/C12H10BrN3/c13-11-6-7-12(14-9-11)16-15-8-10-4-2-1-3-5-10/h1-9H,(H,14,16)/b15-8-
InChIKeyXWGMSCGHUBAOFF-NVNXTCNLSA-N
XLogP3.29
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.29
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)-benzylideneamino]-5-bromopyridin-2-amine?
The IUPAC name of N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine (CID 70641725) is N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine.
What is the SMILES notation for N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine?
The canonical SMILES for N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine is Brc1ccc(N/N=C\c2ccccc2)nc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine?
The InChIKey is XWGMSCGHUBAOFF-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H10BrN3/c13-11-6-7-12(14-9-11)16-15-8-10-4-2-1-3-5-10/h1-9H,(H,14,16)/b15-8-.
What are the key properties of N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine?
N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine has a molecular weight of 276.14 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine is sourced from PubChem (CID 70641725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).