3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde

C8H5BrClF2NO — CID 130070631

IUPAC3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(CCl)c1Br
InChIInChI=1S/C8H5BrClF2NO/c9-7-5(3-14)4(8(11)12)2-13-6(7)1-10/h2-3,8H,1H2
InChIKeySEBBGHVXADNLHD-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.33
Rot. Bonds3

About 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde

3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 130070631) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID130070631
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(CCl)c1Br
InChIInChI=1S/C8H5BrClF2NO/c9-7-5(3-14)4(8(11)12)2-13-6(7)1-10/h2-3,8H,1H2
InChIKeySEBBGHVXADNLHD-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 118826919
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070609
ethyl 2-[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134662548
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde (CID 130070631) is 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde is O=Cc1c(C(F)F)cnc(CCl)c1Br.
What is the InChIKey of 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is SEBBGHVXADNLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-7-5(3-14)4(8(11)12)2-13-6(7)1-10/h2-3,8H,1H2.
What are the key properties of 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde?
3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 284.49 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 130070631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).