(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H13ClN2O2S — CID 69369255

IUPAC(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2nccc(Cl)c2s1)N1CC[C@H](CO)C1
InChIInChI=1S/C13H13ClN2O2S/c14-9-1-3-15-10-5-11(19-12(9)10)13(18)16-4-2-8(6-16)7-17/h1,3,5,8,17H,2,4,6-7H2/t8-/m0/s1
InChIKeyAGIIYFRQDNBXNJ-QMMMGPOBSA-N
MW296.78 g/mol
LogP2.40
Rot. Bonds2

About (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 69369255) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID69369255
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2nccc(Cl)c2s1)N1CC[C@H](CO)C1
InChIInChI=1S/C13H13ClN2O2S/c14-9-1-3-15-10-5-11(19-12(9)10)13(18)16-4-2-8(6-16)7-17/h1,3,5,8,17H,2,4,6-7H2/t8-/m0/s1
InChIKeyAGIIYFRQDNBXNJ-QMMMGPOBSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 23401168
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 23595107
(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 22143587
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
[3-(hydroxymethyl)pyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 62370606
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate
CID 59424429
(2,4-dichloro-5-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371519
2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371858

Frequently Asked Questions

What is the IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 69369255) is (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1cc2nccc(Cl)c2s1)N1CC[C@H](CO)C1.
What is the InChIKey of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is AGIIYFRQDNBXNJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-9-1-3-15-10-5-11(19-12(9)10)13(18)16-4-2-8(6-16)7-17/h1,3,5,8,17H,2,4,6-7H2/t8-/m0/s1.
What are the key properties of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 296.78 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 69369255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).