3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride

C8H7ClF2N2O — CID 130098092

IUPAC3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESNCc1ccc(C(F)F)nc1C(=O)Cl
InChIInChI=1S/C8H7ClF2N2O/c9-7(14)6-4(3-12)1-2-5(13-6)8(10)11/h1-2,8H,3,12H2
InChIKeyPKUXWHBYVUEDND-UHFFFAOYSA-N
MW220.61 g/mol
LogP1.86
Rot. Bonds3

About 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride

3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 130098092) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride
PubChem CID130098092
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESNCc1ccc(C(F)F)nc1C(=O)Cl
InChIInChI=1S/C8H7ClF2N2O/c9-7(14)6-4(3-12)1-2-5(13-6)8(10)11/h1-2,8H,3,12H2
InChIKeyPKUXWHBYVUEDND-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095088
ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134673525
ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672936
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118835601
ethyl 6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 133093188
6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
CID 130080374
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130069571
[6-chloro-2-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095492
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
methyl 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133084570
2-[6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130097218

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride (CID 130098092) is 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride is NCc1ccc(C(F)F)nc1C(=O)Cl.
What is the InChIKey of 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is PKUXWHBYVUEDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-7(14)6-4(3-12)1-2-5(13-6)8(10)11/h1-2,8H,3,12H2.
What are the key properties of 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride?
3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride has a molecular weight of 220.61 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 130098092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).