4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride

C8H7ClF2N2O2 — CID 118829154

IUPAC4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
SMILESCOc1c(C(F)F)ncc(C(=O)Cl)c1N
InChIInChI=1S/C8H7ClF2N2O2/c1-15-6-4(12)3(7(9)14)2-13-5(6)8(10)11/h2,8H,1H3,(H2,12,13)
InChIKeyASDGLQLTJWNNJO-UHFFFAOYSA-N
MW236.60 g/mol
LogP1.99
Rot. Bonds3

About 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride

4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride (PubChem CID 118829154) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
PubChem CID118829154
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
SMILESCOc1c(C(F)F)ncc(C(=O)Cl)c1N
InChIInChI=1S/C8H7ClF2N2O2/c1-15-6-4(12)3(7(9)14)2-13-5(6)8(10)11/h2,8H,1H3,(H2,12,13)
InChIKeyASDGLQLTJWNNJO-UHFFFAOYSA-N
XLogP1.99
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105551
2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 118854739
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118851864
6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
CID 118854435
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
CID 133085041
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
2-(difluoromethyl)-3,5-dimethoxypyridine-4-carboxamide
CID 118837482
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134678964

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride?
The IUPAC name of 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride (CID 118829154) is 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride?
The canonical SMILES for 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride is COc1c(C(F)F)ncc(C(=O)Cl)c1N.
What is the InChIKey of 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride?
The InChIKey is ASDGLQLTJWNNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c1-15-6-4(12)3(7(9)14)2-13-5(6)8(10)11/h2,8H,1H3,(H2,12,13).
What are the key properties of 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride?
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride has a molecular weight of 236.60 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride is sourced from PubChem (CID 118829154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).