2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine

C9H9ClFN — CID 162091541

IUPAC2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine
SMILESFc1cnc(Cl)c(CC2CC2)c1
InChIInChI=1S/C9H9ClFN/c10-9-7(3-6-1-2-6)4-8(11)5-12-9/h4-6H,1-3H2
InChIKeyXXBJMVCWYHSFQX-UHFFFAOYSA-N
MW185.63 g/mol
LogP2.83
Rot. Bonds2

About 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine

2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine (PubChem CID 162091541) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine.

Molecular Properties

Compound Name2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine
PubChem CID162091541
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine
SMILESFc1cnc(Cl)c(CC2CC2)c1
InChIInChI=1S/C9H9ClFN/c10-9-7(3-6-1-2-6)4-8(11)5-12-9/h4-6H,1-3H2
InChIKeyXXBJMVCWYHSFQX-UHFFFAOYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine?
The IUPAC name of 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine (CID 162091541) is 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine.
What is the SMILES notation for 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine?
The canonical SMILES for 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine is Fc1cnc(Cl)c(CC2CC2)c1.
What is the InChIKey of 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine?
The InChIKey is XXBJMVCWYHSFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-9-7(3-6-1-2-6)4-8(11)5-12-9/h4-6H,1-3H2.
What are the key properties of 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine?
2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine has a molecular weight of 185.63 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine is sourced from PubChem (CID 162091541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).