(2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone

C15H13ClFNO — CID 22080771

IUPAC(2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C15H13ClFNO/c1-9(2)13-8-7-12(15(16)18-13)14(19)10-3-5-11(17)6-4-10/h3-9H,1-2H3
InChIKeyLJJSRIRZIMREQA-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.23
Rot. Bonds3

About (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone

(2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone (PubChem CID 22080771) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone
PubChem CID22080771
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name(2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C15H13ClFNO/c1-9(2)13-8-7-12(15(16)18-13)14(19)10-3-5-11(17)6-4-10/h3-9H,1-2H3
InChIKeyLJJSRIRZIMREQA-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.23
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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Related Compounds

2-chloro-6-propan-2-ylpyridine-3-carboxamide
CID 155465069
(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
CID 58565891
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
CID 106971906
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide
CID 175704543
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
(4-chloro-2,6-dimethoxypyrimidin-5-yl)-(4-fluorophenyl)methanone
CID 101460518
(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone
CID 105078698

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone (CID 22080771) is (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone is CC(C)c1ccc(C(=O)c2ccc(F)cc2)c(Cl)n1.
What is the InChIKey of (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone?
The InChIKey is LJJSRIRZIMREQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9(2)13-8-7-12(15(16)18-13)14(19)10-3-5-11(17)6-4-10/h3-9H,1-2H3.
What are the key properties of (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone?
(2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone has a molecular weight of 277.73 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 22080771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).