4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride

C8H7ClF2N2O2 — CID 118812031

IUPAC4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
SMILESCOc1cnc(C(=O)Cl)c(C(F)F)c1N
InChIInChI=1S/C8H7ClF2N2O2/c1-15-3-2-13-6(7(9)14)4(5(3)12)8(10)11/h2,8H,1H3,(H2,12,13)
InChIKeyYAWMTJWBDFBRFT-UHFFFAOYSA-N
MW236.60 g/mol
LogP1.99
Rot. Bonds3

About 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride

4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride (PubChem CID 118812031) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
PubChem CID118812031
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
SMILESCOc1cnc(C(=O)Cl)c(C(F)F)c1N
InChIInChI=1S/C8H7ClF2N2O2/c1-15-3-2-13-6(7(9)14)4(5(3)12)8(10)11/h2,8H,1H3,(H2,12,13)
InChIKeyYAWMTJWBDFBRFT-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

4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
CID 118845809
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
CID 130097501
3-(difluoromethyl)-5-methoxypyridine-2,4-diamine
CID 119019295
3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
4-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carboxamide
CID 118852090
3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
CID 133105178
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride?
The IUPAC name of 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride (CID 118812031) is 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride?
The canonical SMILES for 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride is COc1cnc(C(=O)Cl)c(C(F)F)c1N.
What is the InChIKey of 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride?
The InChIKey is YAWMTJWBDFBRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c1-15-3-2-13-6(7(9)14)4(5(3)12)8(10)11/h2,8H,1H3,(H2,12,13).
What are the key properties of 4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride?
4-amino-3-(difluoromethyl)-5-methoxypyridine-2-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-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 118812031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).