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

C8H7ClF2N2O — CID 130075050

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

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

4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130075050) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130075050
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNCc1cc(C=O)nc(C(F)F)c1Cl
InChIInChI=1S/C8H7ClF2N2O/c9-6-4(2-12)1-5(3-14)13-7(6)8(10)11/h1,3,8H,2,12H2
InChIKeyBRZXNNSFBXSXSM-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-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075022
4-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118846706

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde (CID 130075050) is 4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde is NCc1cc(C=O)nc(C(F)F)c1Cl.
What is the InChIKey of 4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is BRZXNNSFBXSXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-6-4(2-12)1-5(3-14)13-7(6)8(10)11/h1,3,8H,2,12H2.
What are the key properties of 4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde?
4-(aminomethyl)-5-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)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130075050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).