6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

C9H6ClF5N2O2 — CID 134669897

IUPAC6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESNCc1cc(C(F)F)c(OC(F)(F)F)c(C(=O)Cl)n1
InChIInChI=1S/C9H6ClF5N2O2/c10-7(18)5-6(19-9(13,14)15)4(8(11)12)1-3(2-16)17-5/h1,8H,2,16H2
InChIKeyQLNWKILIMLSTAC-UHFFFAOYSA-N
MW304.60 g/mol
LogP2.76
Rot. Bonds4

About 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 134669897) has the molecular formula C9H6ClF5N2O2 and a molecular weight of 304.60 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID134669897
Molecular FormulaC9H6ClF5N2O2
Molecular Weight304.60 g/mol
Exact Mass304.00
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESNCc1cc(C(F)F)c(OC(F)(F)F)c(C(=O)Cl)n1
InChIInChI=1S/C9H6ClF5N2O2/c10-7(18)5-6(19-9(13,14)15)4(8(11)12)1-3(2-16)17-5/h1,8H,2,16H2
InChIKeyQLNWKILIMLSTAC-UHFFFAOYSA-N
XLogP2.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 52.76
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)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118818087
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118808665
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663608
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443
2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118838270
6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669754
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 134669897) is 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is NCc1cc(C(F)F)c(OC(F)(F)F)c(C(=O)Cl)n1.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is QLNWKILIMLSTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5N2O2/c10-7(18)5-6(19-9(13,14)15)4(8(11)12)1-3(2-16)17-5/h1,8H,2,16H2.
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride has a molecular weight of 304.60 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 134669897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).