2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde

C7H5BrF2N2O — CID 119014492

IUPAC2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNc1nc(C(F)F)c(Br)cc1C=O
InChIInChI=1S/C7H5BrF2N2O/c8-4-1-3(2-13)7(11)12-5(4)6(9)10/h1-2,6H,(H2,11,12)
InChIKeyCWYPAOBVOWPJIN-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.18
Rot. Bonds2

About 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde

2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 119014492) has the molecular formula C7H5BrF2N2O and a molecular weight of 251.03 g/mol. Its IUPAC name is 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID119014492
Molecular FormulaC7H5BrF2N2O
Molecular Weight251.03 g/mol
Exact Mass249.96
IUPAC Name2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNc1nc(C(F)F)c(Br)cc1C=O
InChIInChI=1S/C7H5BrF2N2O/c8-4-1-3(2-13)7(11)12-5(4)6(9)10/h1-2,6H,(H2,11,12)
InChIKeyCWYPAOBVOWPJIN-UHFFFAOYSA-N
XLogP2.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102096
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
2-amino-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119007498
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 130108994
2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 119020523
3-bromo-5-chloro-6-(difluoromethyl)pyridin-2-amine
CID 119012391
2-amino-4-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119023805
5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130107032
2-bromo-4-(difluoromethyl)benzaldehyde
CID 84698198
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde (CID 119014492) is 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde is Nc1nc(C(F)F)c(Br)cc1C=O.
What is the InChIKey of 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is CWYPAOBVOWPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O/c8-4-1-3(2-13)7(11)12-5(4)6(9)10/h1-2,6H,(H2,11,12).
What are the key properties of 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde?
2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 251.03 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 119014492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).