(6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone

C12H13ClFNO — CID 170152064

IUPAC(6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone
SMILESO=C(c1ccc(Cl)nc1)C1(F)CCCCC1
InChIInChI=1S/C12H13ClFNO/c13-10-5-4-9(8-15-10)11(16)12(14)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
InChIKeyWPSRYZWVKSUZAU-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.59
Rot. Bonds2

About (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone

(6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone (PubChem CID 170152064) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone
PubChem CID170152064
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name(6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone
SMILESO=C(c1ccc(Cl)nc1)C1(F)CCCCC1
InChIInChI=1S/C12H13ClFNO/c13-10-5-4-9(8-15-10)11(16)12(14)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
InChIKeyWPSRYZWVKSUZAU-UHFFFAOYSA-N
XLogP3.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone (CID 170152064) is (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone is O=C(c1ccc(Cl)nc1)C1(F)CCCCC1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone?
The InChIKey is WPSRYZWVKSUZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-10-5-4-9(8-15-10)11(16)12(14)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2.
What are the key properties of (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone?
(6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone has a molecular weight of 241.69 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone is sourced from PubChem (CID 170152064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).