(E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide

C10H11BrN2O2 — CID 118432044

IUPAC(E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1cccc(Br)n1
InChIInChI=1S/C10H11BrN2O2/c1-13(15-2)10(14)7-6-8-4-3-5-9(11)12-8/h3-7H,1-2H3/b7-6+
InChIKeyZMSZNKYIBSDLLA-VOTSOKGWSA-N
MW271.11 g/mol
LogP1.88
Rot. Bonds3

About (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide

(E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide (PubChem CID 118432044) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide
PubChem CID118432044
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1cccc(Br)n1
InChIInChI=1S/C10H11BrN2O2/c1-13(15-2)10(14)7-6-8-4-3-5-9(11)12-8/h3-7H,1-2H3/b7-6+
InChIKeyZMSZNKYIBSDLLA-VOTSOKGWSA-N
XLogP1.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(6-bromo-2-pyridinyl)prop-2-enoate
CID 66524534
(E)-4-(6-bromo-2-pyridinyl)but-3-en-2-one
CID 95564177
(E)-1,3-bis(6-bromo-2-pyridinyl)prop-2-en-1-one
CID 11462766
6-bromopyridin-2-amine;methyl (E)-3-(6-amino-2-pyridinyl)prop-2-enoate;methyl prop-2-enoate
CID 158853353
5-(6-bromo-2-pyridinyl)penta-2,4-dienal
CID 54391429
3-(6-bromo-2-pyridinyl)-N-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]prop-2-enamide
CID 123948353
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate
CID 68843294
(6-bromo-2-pyridinyl)methylideneazanide;methanol;tungsten
CID 157026840
5-(6-bromo-2-pyridinyl)-N-methoxy-N-methylpentanamide
CID 54200368
(Z)-3-(2,3-dichlorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305734
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide (CID 118432044) is (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide is CON(C)C(=O)/C=C/c1cccc(Br)n1.
What is the InChIKey of (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide?
The InChIKey is ZMSZNKYIBSDLLA-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-13(15-2)10(14)7-6-8-4-3-5-9(11)12-8/h3-7H,1-2H3/b7-6+.
What are the key properties of (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide?
(E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide has a molecular weight of 271.11 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-bromo-2-pyridinyl)-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 118432044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).