2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine

C14H10ClF2N — CID 87321373

IUPAC2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine
SMILESFc1cccc(F)c1C1(c2cccnc2Cl)CC1
InChIInChI=1S/C14H10ClF2N/c15-13-9(3-2-8-18-13)14(6-7-14)12-10(16)4-1-5-11(12)17/h1-5,8H,6-7H2
InChIKeyNRXBWEASNNSMDT-UHFFFAOYSA-N
MW265.69 g/mol
LogP4.09
Rot. Bonds2

About 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine

2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine (PubChem CID 87321373) has the molecular formula C14H10ClF2N and a molecular weight of 265.69 g/mol. Its IUPAC name is 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine
PubChem CID87321373
Molecular FormulaC14H10ClF2N
Molecular Weight265.69 g/mol
Exact Mass265.05
IUPAC Name2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine
SMILESFc1cccc(F)c1C1(c2cccnc2Cl)CC1
InChIInChI=1S/C14H10ClF2N/c15-13-9(3-2-8-18-13)14(6-7-14)12-10(16)4-1-5-11(12)17/h1-5,8H,6-7H2
InChIKeyNRXBWEASNNSMDT-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 54.09
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-[1-(2,6-difluorophenyl)cyclopropyl]pyridine?
The IUPAC name of 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine (CID 87321373) is 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine.
What is the SMILES notation for 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine?
The canonical SMILES for 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine is Fc1cccc(F)c1C1(c2cccnc2Cl)CC1.
What is the InChIKey of 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine?
The InChIKey is NRXBWEASNNSMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N/c15-13-9(3-2-8-18-13)14(6-7-14)12-10(16)4-1-5-11(12)17/h1-5,8H,6-7H2.
What are the key properties of 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine?
2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine has a molecular weight of 265.69 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(2,6-difluorophenyl)cyclopropyl]pyridine is sourced from PubChem (CID 87321373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).