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

C9H6ClF5N2O2 — CID 134678964

IUPAC4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESNCc1c(C(=O)Cl)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6ClF5N2O2/c10-7(18)4-2-17-5(8(11)12)6(3(4)1-16)19-9(13,14)15/h2,8H,1,16H2
InChIKeyURBNVLAJKHJFKR-UHFFFAOYSA-N
MW304.60 g/mol
LogP2.76
Rot. Bonds4

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

4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride (PubChem CID 134678964) has the molecular formula C9H6ClF5N2O2 and a molecular weight of 304.60 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
PubChem CID134678964
Molecular FormulaC9H6ClF5N2O2
Molecular Weight304.60 g/mol
Exact Mass304.00
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESNCc1c(C(=O)Cl)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6ClF5N2O2/c10-7(18)4-2-17-5(8(11)12)6(3(4)1-16)19-9(13,14)15/h2,8H,1,16H2
InChIKeyURBNVLAJKHJFKR-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

4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118826646
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 134682245
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134666863
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134678961
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229
ethyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134659427

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride (CID 134678964) is 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride is NCc1c(C(=O)Cl)cnc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The InChIKey is URBNVLAJKHJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5N2O2/c10-7(18)4-2-17-5(8(11)12)6(3(4)1-16)19-9(13,14)15/h2,8H,1,16H2.
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride?
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-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 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 134678964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).