3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride

C9H6ClF5N2O2 — CID 134678961

IUPAC3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESNCc1c(C(=O)Cl)ncc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H6ClF5N2O2/c10-7(18)6-3(1-16)5(8(11)12)4(2-17-6)19-9(13,14)15/h2,8H,1,16H2
InChIKeyGTTUYFOJWPQLRX-UHFFFAOYSA-N
MW304.60 g/mol
LogP2.76
Rot. Bonds4

About 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride

3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 134678961) has the molecular formula C9H6ClF5N2O2 and a molecular weight of 304.60 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID134678961
Molecular FormulaC9H6ClF5N2O2
Molecular Weight304.60 g/mol
Exact Mass304.00
IUPAC Name3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESNCc1c(C(=O)Cl)ncc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H6ClF5N2O2/c10-7(18)6-3(1-16)5(8(11)12)4(2-17-6)19-9(13,14)15/h2,8H,1,16H2
InChIKeyGTTUYFOJWPQLRX-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

3-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672974
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664232
4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118828504
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
2-[2-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118832558
4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
[2-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118825588
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118826646
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
[4-(difluoromethyl)-2-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118846428
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 134678961) is 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride is NCc1c(C(=O)Cl)ncc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is GTTUYFOJWPQLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5N2O2/c10-7(18)6-3(1-16)5(8(11)12)4(2-17-6)19-9(13,14)15/h2,8H,1,16H2.
What are the key properties of 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride?
3-(aminomethyl)-4-(difluoromethyl)-5-(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 3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 134678961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).