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

C8H7ClF2N2O — CID 130075022

IUPAC6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1cc(Cl)c(C=O)c(C(F)F)n1
InChIInChI=1S/C8H7ClF2N2O/c9-6-1-4(2-12)13-7(8(10)11)5(6)3-14/h1,3,8H,2,12H2
InChIKeyJTZAXHLKLMJHBS-UHFFFAOYSA-N
MW220.61 g/mol
LogP1.94
Rot. Bonds3

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

6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 130075022) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID130075022
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1cc(Cl)c(C=O)c(C(F)F)n1
InChIInChI=1S/C8H7ClF2N2O/c9-6-1-4(2-12)13-7(8(10)11)5(6)3-14/h1,3,8H,2,12H2
InChIKeyJTZAXHLKLMJHBS-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

4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816705
4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
CID 118812768
[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 130108006
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130081885
6-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridin-2-amine
CID 118997828
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
CID 133085000
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130107032
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde (CID 130075022) is 6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde is NCc1cc(Cl)c(C=O)c(C(F)F)n1.
What is the InChIKey of 6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is JTZAXHLKLMJHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-6-1-4(2-12)13-7(8(10)11)5(6)3-14/h1,3,8H,2,12H2.
What are the key properties of 6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde?
6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-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-2-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 130075022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).