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

C8H9F2N3O — CID 118805849

IUPAC4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1ncc(C(F)F)c(N)c1C=O
InChIInChI=1S/C8H9F2N3O/c9-8(10)4-2-13-6(1-11)5(3-14)7(4)12/h2-3,8H,1,11H2,(H2,12,13)
InChIKeyIUUJAIMBBMRFHD-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.87
Rot. Bonds3

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

4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118805849) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID118805849
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1ncc(C(F)F)c(N)c1C=O
InChIInChI=1S/C8H9F2N3O/c9-8(10)4-2-13-6(1-11)5(3-14)7(4)12/h2-3,8H,1,11H2,(H2,12,13)
InChIKeyIUUJAIMBBMRFHD-UHFFFAOYSA-N
XLogP0.87
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
CID 118833462
2-(aminomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118850860
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118801124
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118847981
2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
[5-(difluoromethyl)-3,4-diiodo-2-pyridinyl]methanamine
CID 118848069
3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812
[6-(aminomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118831070
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148
6-(aminomethyl)-4-(difluoromethyl)pyridine-2,5-diamine
CID 118836943

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde (CID 118805849) is 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde is NCc1ncc(C(F)F)c(N)c1C=O.
What is the InChIKey of 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is IUUJAIMBBMRFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-8(10)4-2-13-6(1-11)5(3-14)7(4)12/h2-3,8H,1,11H2,(H2,12,13).
What are the key properties of 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 201.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118805849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).