2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile

C9H7ClN2S — CID 82612621

IUPAC2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)CSCC2
InChIInChI=1S/C9H7ClN2S/c10-9-7(4-11)3-6-1-2-13-5-8(6)12-9/h3H,1-2,5H2
InChIKeyNFOZTOSYSKEEOC-UHFFFAOYSA-N
MW210.69 g/mol
LogP2.40
Rot. Bonds

About 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile

2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile (PubChem CID 82612621) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile
PubChem CID82612621
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)CSCC2
InChIInChI=1S/C9H7ClN2S/c10-9-7(4-11)3-6-1-2-13-5-8(6)12-9/h3H,1-2,5H2
InChIKeyNFOZTOSYSKEEOC-UHFFFAOYSA-N
XLogP2.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818
2-chloro-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
CID 63460303
2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 82611382
2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile
CID 84674722
2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 817267
2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carbonitrile
CID 79834189
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 82375950
2-chloro-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylic acid
CID 82618974
2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine;hydrate
CID 145188493
5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine
CID 105441953
6-chlorothieno[2,3-b]pyridine-5-carbonitrile
CID 82400712

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile (CID 82612621) is 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Cl)CSCC2.
What is the InChIKey of 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile?
The InChIKey is NFOZTOSYSKEEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c10-9-7(4-11)3-6-1-2-13-5-8(6)12-9/h3H,1-2,5H2.
What are the key properties of 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile?
2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile has a molecular weight of 210.69 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 82612621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).