3-chloro-6-fluoro-2,4-dimethylpyridine;ethane

C9H13ClFN — CID 143020336

IUPAC3-chloro-6-fluoro-2,4-dimethylpyridine;ethane
SMILESCC.Cc1cc(F)nc(C)c1Cl
InChIInChI=1S/C7H7ClFN.C2H6/c1-4-3-6(9)10-5(2)7(4)8;1-2/h3H,1-2H3;1-2H3
InChIKeyNKRFSCXBOJOHGM-UHFFFAOYSA-N
MW189.66 g/mol
LogP3.52
Rot. Bonds

About 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane

3-chloro-6-fluoro-2,4-dimethylpyridine;ethane (PubChem CID 143020336) has the molecular formula C9H13ClFN and a molecular weight of 189.66 g/mol. Its IUPAC name is 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane.

Molecular Properties

Compound Name3-chloro-6-fluoro-2,4-dimethylpyridine;ethane
PubChem CID143020336
Molecular FormulaC9H13ClFN
Molecular Weight189.66 g/mol
Exact Mass189.07
IUPAC Name3-chloro-6-fluoro-2,4-dimethylpyridine;ethane
SMILESCC.Cc1cc(F)nc(C)c1Cl
InChIInChI=1S/C7H7ClFN.C2H6/c1-4-3-6(9)10-5(2)7(4)8;1-2/h3H,1-2H3;1-2H3
InChIKeyNKRFSCXBOJOHGM-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.66
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-fluoro-2,4-dimethylpyridine
CID 143020337
3,4-dichloro-2-(difluoromethyl)-6-fluoropyridine
CID 130099210
3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
CID 10608131
2-bromo-6-fluoro-4-methylpyridin-3-ol
CID 171795901
3,6-difluoro-2-methyl-4-propan-2-ylpyridine
CID 159755748
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
CID 134672175
[3-(difluoromethyl)-6-fluoro-2-methyl-4-pyridinyl]methanol
CID 130081129
4,6-dichloro-2-methylpyridin-3-ol;ethane
CID 142310785
2-chloro-3,6,7-trimethylquinoxaline;ethane
CID 142003452
2-bromo-6-fluoro-4-methyl-3-propan-2-ylpyridine
CID 153298254

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane?
The IUPAC name of 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane (CID 143020336) is 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane.
What is the SMILES notation for 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane?
The canonical SMILES for 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane is CC.Cc1cc(F)nc(C)c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane?
The InChIKey is NKRFSCXBOJOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN.C2H6/c1-4-3-6(9)10-5(2)7(4)8;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane?
3-chloro-6-fluoro-2,4-dimethylpyridine;ethane has a molecular weight of 189.66 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-2,4-dimethylpyridine;ethane is sourced from PubChem (CID 143020336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).