1-chloro-6-fluoro-5-methyl-2H-pyridine

C6H7ClFN — CID 90801208

IUPAC1-chloro-6-fluoro-5-methyl-2H-pyridine
SMILESCC1=C(F)N(Cl)CC=C1
InChIInChI=1S/C6H7ClFN/c1-5-3-2-4-9(7)6(5)8/h2-3H,4H2,1H3
InChIKeySYQULWXSXNWBRL-UHFFFAOYSA-N
MW147.58 g/mol
LogP2.21
Rot. Bonds

About 1-chloro-6-fluoro-5-methyl-2H-pyridine

1-chloro-6-fluoro-5-methyl-2H-pyridine (PubChem CID 90801208) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is 1-chloro-6-fluoro-5-methyl-2H-pyridine.

Molecular Properties

Compound Name1-chloro-6-fluoro-5-methyl-2H-pyridine
PubChem CID90801208
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name1-chloro-6-fluoro-5-methyl-2H-pyridine
SMILESCC1=C(F)N(Cl)CC=C1
InChIInChI=1S/C6H7ClFN/c1-5-3-2-4-9(7)6(5)8/h2-3H,4H2,1H3
InChIKeySYQULWXSXNWBRL-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-5-methyl-2H-pyridine?
The IUPAC name of 1-chloro-6-fluoro-5-methyl-2H-pyridine (CID 90801208) is 1-chloro-6-fluoro-5-methyl-2H-pyridine.
What is the SMILES notation for 1-chloro-6-fluoro-5-methyl-2H-pyridine?
The canonical SMILES for 1-chloro-6-fluoro-5-methyl-2H-pyridine is CC1=C(F)N(Cl)CC=C1.
What is the InChIKey of 1-chloro-6-fluoro-5-methyl-2H-pyridine?
The InChIKey is SYQULWXSXNWBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-5-3-2-4-9(7)6(5)8/h2-3H,4H2,1H3.
What are the key properties of 1-chloro-6-fluoro-5-methyl-2H-pyridine?
1-chloro-6-fluoro-5-methyl-2H-pyridine has a molecular weight of 147.58 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-fluoro-5-methyl-2H-pyridine is sourced from PubChem (CID 90801208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).