N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine

C12H11BrN4 — CID 59676626

IUPACN-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine
SMILESCc1ccc(N/N=C/c2ccc(Br)nc2)nc1
InChIInChI=1S/C12H11BrN4/c1-9-2-5-12(15-6-9)17-16-8-10-3-4-11(13)14-7-10/h2-8H,1H3,(H,15,17)/b16-8+
InChIKeyPPQHPJLVICSFOJ-LZYBPNLTSA-N
MW291.15 g/mol
LogP2.99
Rot. Bonds3

About N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine

N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine (PubChem CID 59676626) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine
PubChem CID59676626
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC NameN-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine
SMILESCc1ccc(N/N=C/c2ccc(Br)nc2)nc1
InChIInChI=1S/C12H11BrN4/c1-9-2-5-12(15-6-9)17-16-8-10-3-4-11(13)14-7-10/h2-8H,1H3,(H,15,17)/b16-8+
InChIKeyPPQHPJLVICSFOJ-LZYBPNLTSA-N
XLogP2.99
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine?
The IUPAC name of N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine (CID 59676626) is N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine?
The canonical SMILES for N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine is Cc1ccc(N/N=C/c2ccc(Br)nc2)nc1.
What is the InChIKey of N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine?
The InChIKey is PPQHPJLVICSFOJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H11BrN4/c1-9-2-5-12(15-6-9)17-16-8-10-3-4-11(13)14-7-10/h2-8H,1H3,(H,15,17)/b16-8+.
What are the key properties of N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine?
N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine has a molecular weight of 291.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-bromo-3-pyridinyl)methylideneamino]-5-methylpyridin-2-amine is sourced from PubChem (CID 59676626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).