2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine

C14H18ClNO — CID 139472815

IUPAC2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
SMILESCC(C)(C)c1ncc(Cl)cc1C1=CCOCC1
InChIInChI=1S/C14H18ClNO/c1-14(2,3)13-12(8-11(15)9-16-13)10-4-6-17-7-5-10/h4,8-9H,5-7H2,1-3H3
InChIKeySIOTVMLHERQFEP-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.84
Rot. Bonds1

About 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine

2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine (PubChem CID 139472815) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
PubChem CID139472815
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
SMILESCC(C)(C)c1ncc(Cl)cc1C1=CCOCC1
InChIInChI=1S/C14H18ClNO/c1-14(2,3)13-12(8-11(15)9-16-13)10-4-6-17-7-5-10/h4,8-9H,5-7H2,1-3H3
InChIKeySIOTVMLHERQFEP-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-tert-butyl-5-chloro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139473206
4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
CID 166005450
4-(4-chlorophenyl)-3,6-dihydro-2H-pyran
CID 91180131
4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane
CID 177229893
2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine
CID 159657303
2-(azetidin-3-yloxy)-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
CID 58547700
1-[4-(2-tert-butyl-5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158681077
[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-5-yl]boronic acid
CID 169183764
4-chloro-6-(3,6-dihydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 86730988
4-(2-bromophenyl)-3,6-dihydro-2H-pyran
CID 22503115
5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151271
2-(3,5-dichloro-2-pyridinyl)propan-2-amine
CID 130160714

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine?
The IUPAC name of 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine (CID 139472815) is 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine?
The canonical SMILES for 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine is CC(C)(C)c1ncc(Cl)cc1C1=CCOCC1.
What is the InChIKey of 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine?
The InChIKey is SIOTVMLHERQFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-14(2,3)13-12(8-11(15)9-16-13)10-4-6-17-7-5-10/h4,8-9H,5-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine?
2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine has a molecular weight of 251.76 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine is sourced from PubChem (CID 139472815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).