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

C8H5BrClF2NO — CID 130075264

IUPAC3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(Cl)c1CBr
InChIInChI=1S/C8H5BrClF2NO/c9-1-4-6(3-14)5(8(11)12)2-13-7(4)10/h2-3,8H,1H2
InChIKeyRWAHHXMCOYTNEA-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.38
Rot. Bonds3

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

3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 130075264) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID130075264
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(Cl)c1CBr
InChIInChI=1S/C8H5BrClF2NO/c9-1-4-6(3-14)5(8(11)12)2-13-7(4)10/h2-3,8H,1H2
InChIKeyRWAHHXMCOYTNEA-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315
3-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075274
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde (CID 130075264) is 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde is O=Cc1c(C(F)F)cnc(Cl)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is RWAHHXMCOYTNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-1-4-6(3-14)5(8(11)12)2-13-7(4)10/h2-3,8H,1H2.
What are the key properties of 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 284.49 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 130075264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).