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

C8H7BrF2N2O — CID 119003621

IUPAC2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
SMILESNc1ncc(CBr)c(C=O)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c9-1-4-2-13-8(12)6(7(10)11)5(4)3-14/h2-3,7H,1H2,(H2,12,13)
InChIKeySVOSGQCEROIHBL-UHFFFAOYSA-N
MW265.06 g/mol
LogP2.31
Rot. Bonds3

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

2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 119003621) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID119003621
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
SMILESNc1ncc(CBr)c(C=O)c1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c9-1-4-2-13-8(12)6(7(10)11)5(4)3-14/h2-3,7H,1H2,(H2,12,13)
InChIKeySVOSGQCEROIHBL-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-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 119000297
5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133084494
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 130104859
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
CID 119014885
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280
5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119016781

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde (CID 119003621) is 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde is Nc1ncc(CBr)c(C=O)c1C(F)F.
What is the InChIKey of 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is SVOSGQCEROIHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c9-1-4-2-13-8(12)6(7(10)11)5(4)3-14/h2-3,7H,1H2,(H2,12,13).
What are the key properties of 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde?
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-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 2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 119003621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).