3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde

C8H5BrClF2NO — CID 130075297

IUPAC3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)nc(C(F)F)c1CBr
InChIInChI=1S/C8H5BrClF2NO/c9-2-5-4(3-14)1-6(10)13-7(5)8(11)12/h1,3,8H,2H2
InChIKeyJXIMMDUUMKNHOE-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.38
Rot. Bonds3

About 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde

3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 130075297) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID130075297
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)nc(C(F)F)c1CBr
InChIInChI=1S/C8H5BrClF2NO/c9-2-5-4(3-14)1-6(10)13-7(5)8(11)12/h1,3,8H,2H2
InChIKeyJXIMMDUUMKNHOE-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

5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269
3-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075274
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075601
2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130107032
3-(bromomethyl)-6-(difluoromethyl)-4-formylpyridine-2-carbonitrile
CID 130078956
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine
CID 130095515
6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118821330
2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
CID 130073442
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde (CID 130075297) is 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde is O=Cc1cc(Cl)nc(C(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is JXIMMDUUMKNHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-2-5-4(3-14)1-6(10)13-7(5)8(11)12/h1,3,8H,2H2.
What are the key properties of 3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde?
3-(bromomethyl)-6-chloro-2-(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)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 130075297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).