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

C7H5BrF2N2O — CID 130102096

IUPAC3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cc(Br)c(C(F)F)nc1C=O
InChIInChI=1S/C7H5BrF2N2O/c8-3-1-4(11)5(2-13)12-6(3)7(9)10/h1-2,7H,11H2
InChIKeySXXKQRGBTWEYBV-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.18
Rot. Bonds2

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

3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130102096) has the molecular formula C7H5BrF2N2O and a molecular weight of 251.03 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130102096
Molecular FormulaC7H5BrF2N2O
Molecular Weight251.03 g/mol
Exact Mass249.96
IUPAC Name3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cc(Br)c(C(F)F)nc1C=O
InChIInChI=1S/C7H5BrF2N2O/c8-3-1-4(11)5(2-13)12-6(3)7(9)10/h1-2,7H,11H2
InChIKeySXXKQRGBTWEYBV-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

5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119014492
5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
CID 130106113
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
2-amino-4-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119023805
3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 130109712
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde (CID 130102096) is 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde is Nc1cc(Br)c(C(F)F)nc1C=O.
What is the InChIKey of 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is SXXKQRGBTWEYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O/c8-3-1-4(11)5(2-13)12-6(3)7(9)10/h1-2,7H,11H2.
What are the key properties of 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde?
3-amino-5-bromo-6-(difluoromethyl)pyridine-2-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 3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130102096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).