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

C8H7ClF2N2O — CID 130075030

IUPAC3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
SMILESNCc1c(Cl)ncc(C(F)F)c1C=O
InChIInChI=1S/C8H7ClF2N2O/c9-7-4(1-12)6(3-14)5(2-13-7)8(10)11/h2-3,8H,1,12H2
InChIKeyKRFHKQPHXDHPOX-UHFFFAOYSA-N
MW220.61 g/mol
LogP1.94
Rot. Bonds3

About 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde

3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 130075030) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID130075030
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
SMILESNCc1c(Cl)ncc(C(F)F)c1C=O
InChIInChI=1S/C8H7ClF2N2O/c9-7-4(1-12)6(3-14)5(2-13-7)8(10)11/h2-3,8H,1,12H2
InChIKeyKRFHKQPHXDHPOX-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 118812276
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 130098054
4-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130088514
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde (CID 130075030) is 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde is NCc1c(Cl)ncc(C(F)F)c1C=O.
What is the InChIKey of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is KRFHKQPHXDHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-7-4(1-12)6(3-14)5(2-13-7)8(10)11/h2-3,8H,1,12H2.
What are the key properties of 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde?
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-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 3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 130075030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).