5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol

C7H7BrF2N2O — CID 130104710

IUPAC5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
SMILESNc1cnc(CBr)c(O)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-1-4-6(13)5(7(9)10)3(11)2-12-4/h2,7,13H,1,11H2
InChIKeyBGAIWCKYALBNJI-UHFFFAOYSA-N
MW253.05 g/mol
LogP2.20
Rot. Bonds2

About 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol

5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol (PubChem CID 130104710) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
PubChem CID130104710
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
SMILESNc1cnc(CBr)c(O)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-1-4-6(13)5(7(9)10)3(11)2-12-4/h2,7,13H,1,11H2
InChIKeyBGAIWCKYALBNJI-UHFFFAOYSA-N
XLogP2.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 52.20
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

2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106341
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 130083686
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684591
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130107021

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol (CID 130104710) is 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol is Nc1cnc(CBr)c(O)c1C(F)F.
What is the InChIKey of 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol?
The InChIKey is BGAIWCKYALBNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-1-4-6(13)5(7(9)10)3(11)2-12-4/h2,7,13H,1,11H2.
What are the key properties of 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol?
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol has a molecular weight of 253.05 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130104710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).