6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde

C8H7ClF2N2O — CID 118842634

IUPAC6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1nc(C=O)cc(Cl)c1C(F)F
InChIInChI=1S/C8H7ClF2N2O/c9-5-1-4(3-14)13-6(2-12)7(5)8(10)11/h1,3,8H,2,12H2
InChIKeyWAZWKACLPFKQSJ-UHFFFAOYSA-N
MW220.61 g/mol
LogP1.94
Rot. Bonds3

About 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde

6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118842634) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID118842634
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1nc(C=O)cc(Cl)c1C(F)F
InChIInChI=1S/C8H7ClF2N2O/c9-5-1-4(3-14)13-6(2-12)7(5)8(10)11/h1,3,8H,2,12H2
InChIKeyWAZWKACLPFKQSJ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 118839528
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
CID 118831501
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde (CID 118842634) is 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde is NCc1nc(C=O)cc(Cl)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is WAZWKACLPFKQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-5-1-4(3-14)13-6(2-12)7(5)8(10)11/h1,3,8H,2,12H2.
What are the key properties of 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde?
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 220.61 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118842634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).