6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine

C7H9ClFN — CID 146392793

IUPAC6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine
SMILESCC1=CC=C(Cl)N(C)C1F
InChIInChI=1S/C7H9ClFN/c1-5-3-4-6(8)10(2)7(5)9/h3-4,7H,1-2H3
InChIKeyCXJMMTSTTBNEAO-UHFFFAOYSA-N
MW161.61 g/mol
LogP2.25
Rot. Bonds

About 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine

6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine (PubChem CID 146392793) has the molecular formula C7H9ClFN and a molecular weight of 161.61 g/mol. Its IUPAC name is 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine
PubChem CID146392793
Molecular FormulaC7H9ClFN
Molecular Weight161.61 g/mol
Exact Mass161.04
IUPAC Name6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine
SMILESCC1=CC=C(Cl)N(C)C1F
InChIInChI=1S/C7H9ClFN/c1-5-3-4-6(8)10(2)7(5)9/h3-4,7H,1-2H3
InChIKeyCXJMMTSTTBNEAO-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-1,3-dimethyl-2H-pyridine
CID 145003748
6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine
CID 167150001
2-fluoro-1,3-dimethyl-2H-pyridine
CID 174374836
6-chloro-1,4-dimethyl-2H-pyridine
CID 66971380
6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine
CID 141005839
2,6-dichloro-1,3-dimethyl-2H-pyridine
CID 146384765

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine?
The IUPAC name of 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine (CID 146392793) is 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine?
The canonical SMILES for 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine is CC1=CC=C(Cl)N(C)C1F.
What is the InChIKey of 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine?
The InChIKey is CXJMMTSTTBNEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN/c1-5-3-4-6(8)10(2)7(5)9/h3-4,7H,1-2H3.
What are the key properties of 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine?
6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine has a molecular weight of 161.61 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine is sourced from PubChem (CID 146392793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).