(3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine

C8H8ClNO — CID 177205192

IUPAC(3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine
SMILESC[C@@H]1OCc2cc(Cl)ncc21
InChIInChI=1S/C8H8ClNO/c1-5-7-3-10-8(9)2-6(7)4-11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyWRCONVMMKSZOJT-YFKPBYRVSA-N
MW169.61 g/mol
LogP2.33
Rot. Bonds

About (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine

(3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine (PubChem CID 177205192) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine.

Molecular Properties

Compound Name(3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine
PubChem CID177205192
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name(3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine
SMILESC[C@@H]1OCc2cc(Cl)ncc21
InChIInChI=1S/C8H8ClNO/c1-5-7-3-10-8(9)2-6(7)4-11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyWRCONVMMKSZOJT-YFKPBYRVSA-N
XLogP2.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.33
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

(3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 163219599
6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine
CID 83827162
6-chloro-1-methyl-4-methylidene-1H-isochromene
CID 171640882
6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
CID 155691308
1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one
CID 171329332
2-chloro-4-cyclohexyl-5-methylpyridine
CID 146459064
6-chloro-2,3-dihydrofuro[3,2-c]pyridine
CID 10725593
(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
CID 86339090
3-chloro-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 118142930
[4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane
CID 154729696
2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine
CID 169082451
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine?
The IUPAC name of (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine (CID 177205192) is (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine.
What is the SMILES notation for (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine?
The canonical SMILES for (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine is C[C@@H]1OCc2cc(Cl)ncc21.
What is the InChIKey of (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine?
The InChIKey is WRCONVMMKSZOJT-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-5-7-3-10-8(9)2-6(7)4-11-5/h2-3,5H,4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine?
(3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine has a molecular weight of 169.61 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine is sourced from PubChem (CID 177205192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).