5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride

C19H20ClF3N2O — CID 142756030

IUPAC5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride
SMILESCc1nc(CC(C)C)c(CN)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)Cl
InChIInChI=1S/C19H20ClF3N2O/c1-10(2)8-15-14(9-24)17(16(18(20)26)11(3)25-15)12-4-6-13(7-5-12)19(21,22)23/h4-7,10H,8-9,24H2,1-3H3
InChIKeyRNCUHXRXVOWWAR-UHFFFAOYSA-N
MW384.83 g/mol
LogP5.11
Rot. Bonds5

About 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride

5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride (PubChem CID 142756030) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride
PubChem CID142756030
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC Name5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride
SMILESCc1nc(CC(C)C)c(CN)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)Cl
InChIInChI=1S/C19H20ClF3N2O/c1-10(2)8-15-14(9-24)17(16(18(20)26)11(3)25-15)12-4-6-13(7-5-12)19(21,22)23/h4-7,10H,8-9,24H2,1-3H3
InChIKeyRNCUHXRXVOWWAR-UHFFFAOYSA-N
XLogP5.11
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride?
The IUPAC name of 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride (CID 142756030) is 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride?
The canonical SMILES for 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride is Cc1nc(CC(C)C)c(CN)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)Cl.
What is the InChIKey of 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride?
The InChIKey is RNCUHXRXVOWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c1-10(2)8-15-14(9-24)17(16(18(20)26)11(3)25-15)12-4-6-13(7-5-12)19(21,22)23/h4-7,10H,8-9,24H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride?
5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride has a molecular weight of 384.83 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-6-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl chloride is sourced from PubChem (CID 142756030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).