5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

C12H9BrF2N2 — CID 90010042

IUPAC5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(Br)cn1
InChIInChI=1S/C12H9BrF2N2/c13-8-4-5-12(16-6-8)17-7-9-10(14)2-1-3-11(9)15/h1-6H,7H2,(H,16,17)
InChIKeyRPDNDZFIPYUURO-UHFFFAOYSA-N
MW299.12 g/mol
LogP3.73
Rot. Bonds3

About 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 90010042) has the molecular formula C12H9BrF2N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
PubChem CID90010042
Molecular FormulaC12H9BrF2N2
Molecular Weight299.12 g/mol
Exact Mass297.99
IUPAC Name5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(Br)cn1
InChIInChI=1S/C12H9BrF2N2/c13-8-4-5-12(16-6-8)17-7-9-10(14)2-1-3-11(9)15/h1-6H,7H2,(H,16,17)
InChIKeyRPDNDZFIPYUURO-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (CID 90010042) is 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is Fc1cccc(F)c1CNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is RPDNDZFIPYUURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2/c13-8-4-5-12(16-6-8)17-7-9-10(14)2-1-3-11(9)15/h1-6H,7H2,(H,16,17).
What are the key properties of 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 299.12 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 90010042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).