2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile

C9H5ClF2N2O — CID 130079122

IUPAC2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
SMILESN#Cc1c(CCl)ncc(C=O)c1C(F)F
InChIInChI=1S/C9H5ClF2N2O/c10-1-7-6(2-13)8(9(11)12)5(4-15)3-14-7/h3-4,9H,1H2
InChIKeyRZLHIIROBRAEDD-UHFFFAOYSA-N
MW230.60 g/mol
LogP2.44
Rot. Bonds3

About 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile

2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile (PubChem CID 130079122) has the molecular formula C9H5ClF2N2O and a molecular weight of 230.60 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
PubChem CID130079122
Molecular FormulaC9H5ClF2N2O
Molecular Weight230.60 g/mol
Exact Mass230.01
IUPAC Name2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
SMILESN#Cc1c(CCl)ncc(C=O)c1C(F)F
InChIInChI=1S/C9H5ClF2N2O/c10-1-7-6(2-13)8(9(11)12)5(4-15)3-14-7/h3-4,9H,1H2
InChIKeyRZLHIIROBRAEDD-UHFFFAOYSA-N
XLogP2.44
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106249
4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079154
2-(chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 118827119
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076122
2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 118849586
4-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816856
2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071413
ethyl 2-[6-(chloromethyl)-4-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 133106349

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile?
The IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile (CID 130079122) is 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile?
The canonical SMILES for 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile is N#Cc1c(CCl)ncc(C=O)c1C(F)F.
What is the InChIKey of 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile?
The InChIKey is RZLHIIROBRAEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O/c10-1-7-6(2-13)8(9(11)12)5(4-15)3-14-7/h3-4,9H,1H2.
What are the key properties of 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile?
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile has a molecular weight of 230.60 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile is sourced from PubChem (CID 130079122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).