6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride

C9H5ClF6N2O2 — CID 134682245

IUPAC6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESNCc1ncc(C(=O)Cl)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H5ClF6N2O2/c10-7(19)3-2-18-4(1-17)5(8(11,12)13)6(3)20-9(14,15)16/h2H,1,17H2
InChIKeyVZXKVGJXXBRVMK-UHFFFAOYSA-N
MW322.59 g/mol
LogP2.84
Rot. Bonds3

About 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride

6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 134682245) has the molecular formula C9H5ClF6N2O2 and a molecular weight of 322.59 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
PubChem CID134682245
Molecular FormulaC9H5ClF6N2O2
Molecular Weight322.59 g/mol
Exact Mass321.99
IUPAC Name6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESNCc1ncc(C(=O)Cl)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H5ClF6N2O2/c10-7(19)3-2-18-4(1-17)5(8(11,12)13)6(3)20-9(14,15)16/h2H,1,17H2
InChIKeyVZXKVGJXXBRVMK-UHFFFAOYSA-N
XLogP2.84
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 52.84
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-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118826646
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134672699
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134678964
ethyl 2-[5-(chloromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134665355
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
ethyl 6-(chloromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679962
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride (CID 134682245) is 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride is NCc1ncc(C(=O)Cl)c(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is VZXKVGJXXBRVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF6N2O2/c10-7(19)3-2-18-4(1-17)5(8(11,12)13)6(3)20-9(14,15)16/h2H,1,17H2.
What are the key properties of 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride?
6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 322.59 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 134682245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).