4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde

C8H7ClF2N2O — CID 118829181

IUPAC4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1cc(C(F)F)nc(C=O)c1Cl
InChIInChI=1S/C8H7ClF2N2O/c9-7-4(2-12)1-5(8(10)11)13-6(7)3-14/h1,3,8H,2,12H2
InChIKeyIRGQODNOTVXAHA-UHFFFAOYSA-N
MW220.61 g/mol
LogP1.94
Rot. Bonds3

About 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde

4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 118829181) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID118829181
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1cc(C(F)F)nc(C=O)c1Cl
InChIInChI=1S/C8H7ClF2N2O/c9-7-4(2-12)1-5(8(10)11)13-6(7)3-14/h1,3,8H,2,12H2
InChIKeyIRGQODNOTVXAHA-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

3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]methanamine
CID 130073730
4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 118839466
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-amine
CID 130102646
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130072411
4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147
4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118850698
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde (CID 118829181) is 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde is NCc1cc(C(F)F)nc(C=O)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is IRGQODNOTVXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-7-4(2-12)1-5(8(10)11)13-6(7)3-14/h1,3,8H,2,12H2.
What are the key properties of 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
4-(aminomethyl)-3-chloro-6-(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 4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118829181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).