3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde

C8H7BrF2N2O — CID 130107224

IUPAC3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1c(C=O)ncc(CBr)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c9-1-4-2-13-5(3-14)7(12)6(4)8(10)11/h2-3,8H,1,12H2
InChIKeyZOZYEHWFUJALSA-UHFFFAOYSA-N
MW265.06 g/mol
LogP2.31
Rot. Bonds3

About 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde

3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130107224) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130107224
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1c(C=O)ncc(CBr)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c9-1-4-2-13-5(3-14)7(12)6(4)8(10)11/h2-3,8H,1,12H2
InChIKeyZOZYEHWFUJALSA-UHFFFAOYSA-N
XLogP2.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680
4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130087191
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075618

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (CID 130107224) is 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is Nc1c(C=O)ncc(CBr)c1C(F)F.
What is the InChIKey of 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is ZOZYEHWFUJALSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c9-1-4-2-13-5(3-14)7(12)6(4)8(10)11/h2-3,8H,1,12H2.
What are the key properties of 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 265.06 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130107224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).