2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine

C9H10ClF2N — CID 105458279

IUPAC2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(F)F)c(Cl)n1
InChIInChI=1S/C9H10ClF2N/c1-5(2)7-4-3-6(9(11)12)8(10)13-7/h3-5,9H,1-2H3
InChIKeyMIPKNZFIKQEBGI-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.80
Rot. Bonds2

About 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine

2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine (PubChem CID 105458279) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine
PubChem CID105458279
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(F)F)c(Cl)n1
InChIInChI=1S/C9H10ClF2N/c1-5(2)7-4-3-6(9(11)12)8(10)13-7/h3-5,9H,1-2H3
InChIKeyMIPKNZFIKQEBGI-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.80
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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Related Compounds

3-(difluoromethyl)-6-propan-2-ylpyridin-2-amine
CID 169118624
2-chloro-6-propan-2-ylpyridine-3-carboxamide
CID 155465069
(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
CID 58333500
2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane
CID 176926162
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069
6-chloro-5-(difluoromethyl)pyridine-2-sulfonamide
CID 119001822
(2-chloro-6-propan-2-yl-3-pyridinyl)-(4-fluorophenyl)methanone
CID 22080771
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
2-chloro-3-(difluoromethyl)-6-iodo-5-methylpyridine
CID 119010207
2-chloro-3,4-dimethyl-6-propan-2-ylpyridine
CID 135139211
3-bromo-2-fluoro-6-propan-2-ylpyridine
CID 130138752
6-chloro-5-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine
CID 176980789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine (CID 105458279) is 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine is CC(C)c1ccc(C(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine?
The InChIKey is MIPKNZFIKQEBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-5(2)7-4-3-6(9(11)12)8(10)13-7/h3-5,9H,1-2H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine?
2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine has a molecular weight of 205.64 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine is sourced from PubChem (CID 105458279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).