6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine

C10H11BrF2N2 — CID 118970389

IUPAC6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine
SMILESCN(CC1CC1(F)F)c1cccc(Br)n1
InChIInChI=1S/C10H11BrF2N2/c1-15(6-7-5-10(7,12)13)9-4-2-3-8(11)14-9/h2-4,7H,5-6H2,1H3
InChIKeySTCSIMMADVZWTF-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.94
Rot. Bonds3

About 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine

6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine (PubChem CID 118970389) has the molecular formula C10H11BrF2N2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine
PubChem CID118970389
Molecular FormulaC10H11BrF2N2
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine
SMILESCN(CC1CC1(F)F)c1cccc(Br)n1
InChIInChI=1S/C10H11BrF2N2/c1-15(6-7-5-10(7,12)13)9-4-2-3-8(11)14-9/h2-4,7H,5-6H2,1H3
InChIKeySTCSIMMADVZWTF-UHFFFAOYSA-N
XLogP2.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine (CID 118970389) is 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine is CN(CC1CC1(F)F)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is STCSIMMADVZWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2/c1-15(6-7-5-10(7,12)13)9-4-2-3-8(11)14-9/h2-4,7H,5-6H2,1H3.
What are the key properties of 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine?
6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 277.11 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 118970389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).