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

C8H7BrF2N2O — CID 118820202

IUPAC6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1nc(Br)c(C=O)cc1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c9-7-4(3-14)1-5(8(10)11)6(2-12)13-7/h1,3,8H,2,12H2
InChIKeyPOJOMYDFJBYKPM-UHFFFAOYSA-N
MW265.06 g/mol
LogP2.05
Rot. Bonds3

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

6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118820202) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID118820202
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1nc(Br)c(C=O)cc1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c9-7-4(3-14)1-5(8(10)11)6(2-12)13-7/h1,3,8H,2,12H2
InChIKeyPOJOMYDFJBYKPM-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 119011244
5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118844032
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 130098957
[3-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118848182
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 130098054

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde (CID 118820202) is 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde is NCc1nc(Br)c(C=O)cc1C(F)F.
What is the InChIKey of 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is POJOMYDFJBYKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c9-7-4(3-14)1-5(8(10)11)6(2-12)13-7/h1,3,8H,2,12H2.
What are the key properties of 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde?
6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 265.06 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118820202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).