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

C8H5Cl2F2NO — CID 130075618

IUPAC3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(CCl)c(C(F)F)c1Cl
InChIInChI=1S/C8H5Cl2F2NO/c9-1-4-2-13-5(3-14)7(10)6(4)8(11)12/h2-3,8H,1H2
InChIKeyJAHGADJHLPXTTR-UHFFFAOYSA-N
MW240.04 g/mol
LogP3.22
Rot. Bonds3

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

3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130075618) has the molecular formula C8H5Cl2F2NO and a molecular weight of 240.04 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130075618
Molecular FormulaC8H5Cl2F2NO
Molecular Weight240.04 g/mol
Exact Mass238.97
IUPAC Name3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(CCl)c(C(F)F)c1Cl
InChIInChI=1S/C8H5Cl2F2NO/c9-1-4-2-13-5(3-14)7(10)6(4)8(11)12/h2-3,8H,1H2
InChIKeyJAHGADJHLPXTTR-UHFFFAOYSA-N
XLogP3.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 53.22
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

3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632
3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 130099393
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
5-(chloromethyl)-2-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 130087542

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (CID 130075618) is 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1ncc(CCl)c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is JAHGADJHLPXTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO/c9-1-4-2-13-5(3-14)7(10)6(4)8(11)12/h2-3,8H,1H2.
What are the key properties of 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 240.04 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130075618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).