3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine

C7H8BrF2N3 — CID 130098692

IUPAC3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
SMILESNc1ncc(C(F)F)c(N)c1CBr
InChIInChI=1S/C7H8BrF2N3/c8-1-3-5(11)4(6(9)10)2-13-7(3)12/h2,6H,1H2,(H4,11,12,13)
InChIKeyJNYDYTABBLNFIT-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.08
Rot. Bonds2

About 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine

3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine (PubChem CID 130098692) has the molecular formula C7H8BrF2N3 and a molecular weight of 252.06 g/mol. Its IUPAC name is 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
PubChem CID130098692
Molecular FormulaC7H8BrF2N3
Molecular Weight252.06 g/mol
Exact Mass250.99
IUPAC Name3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
SMILESNc1ncc(C(F)F)c(N)c1CBr
InChIInChI=1S/C7H8BrF2N3/c8-1-3-5(11)4(6(9)10)2-13-7(3)12/h2,6H,1H2,(H4,11,12,13)
InChIKeyJNYDYTABBLNFIT-UHFFFAOYSA-N
XLogP2.08
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 130102690
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
3-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-2-amine
CID 118998627
4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106332
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130105305
5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)pyridin-4-amine
CID 118829110
3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
CID 119014885
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 118997020
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine (CID 130098692) is 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine is Nc1ncc(C(F)F)c(N)c1CBr.
What is the InChIKey of 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine?
The InChIKey is JNYDYTABBLNFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3/c8-1-3-5(11)4(6(9)10)2-13-7(3)12/h2,6H,1H2,(H4,11,12,13).
What are the key properties of 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine?
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine has a molecular weight of 252.06 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 130098692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).