3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine

C10H11ClF3NO — CID 155156958

IUPAC3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine
SMILESCc1cnc(OCCCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF3NO/c1-7-5-8(11)9(15-6-7)16-4-2-3-10(12,13)14/h5-6H,2-4H2,1H3
InChIKeyHWFSYROQFAUCIL-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.76
Rot. Bonds4

About 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine

3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine (PubChem CID 155156958) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine.

Molecular Properties

Compound Name3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine
PubChem CID155156958
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine
SMILESCc1cnc(OCCCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF3NO/c1-7-5-8(11)9(15-6-7)16-4-2-3-10(12,13)14/h5-6H,2-4H2,1H3
InChIKeyHWFSYROQFAUCIL-UHFFFAOYSA-N
XLogP3.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-methyl-2-propoxypyridine
CID 58571259
5-methyl-6-(4,4,4-trifluorobutoxy)pyridine-3-carbaldehyde
CID 82788792
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
CID 102761118
5-methyl-4-(4,4,4-trifluorobutoxy)pyrimidin-2-amine
CID 82793719
3-chloro-2-methoxy-5-methylpyridine;methanamine
CID 163239681
2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine
CID 116519519
5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine
CID 82956348
4-bromo-1-chloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514016
5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794815
2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine
CID 58615529
5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide
CID 82788853

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine?
The IUPAC name of 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine (CID 155156958) is 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine.
What is the SMILES notation for 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine?
The canonical SMILES for 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine is Cc1cnc(OCCCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine?
The InChIKey is HWFSYROQFAUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-7-5-8(11)9(15-6-7)16-4-2-3-10(12,13)14/h5-6H,2-4H2,1H3.
What are the key properties of 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine?
3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine has a molecular weight of 253.65 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine is sourced from PubChem (CID 155156958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).