3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde

C8H7ClF2N2O — CID 130107570

IUPAC3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1c(C(F)F)cc(CCl)nc1C=O
InChIInChI=1S/C8H7ClF2N2O/c9-2-4-1-5(8(10)11)7(12)6(3-14)13-4/h1,3,8H,2,12H2
InChIKeyZZKUAQFOUCFMRG-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde

3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130107570) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130107570
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1c(C(F)F)cc(CCl)nc1C=O
InChIInChI=1S/C8H7ClF2N2O/c9-2-4-1-5(8(10)11)7(12)6(3-14)13-4/h1,3,8H,2,12H2
InChIKeyZZKUAQFOUCFMRG-UHFFFAOYSA-N
XLogP2.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 52.15
H-Bond Donors ≤ 51
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

3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130070650
2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119013712
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075599
5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
5-amino-6-bromo-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102081
6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde (CID 130107570) is 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is Nc1c(C(F)F)cc(CCl)nc1C=O.
What is the InChIKey of 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is ZZKUAQFOUCFMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-2-4-1-5(8(10)11)7(12)6(3-14)13-4/h1,3,8H,2,12H2.
What are the key properties of 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde?
3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 220.61 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130107570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).