(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone

C11H6ClN3OS — CID 25231022

IUPAC(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(Cl)nc2[nH]ccc12
InChIInChI=1S/C11H6ClN3OS/c12-11-14-8(6-3-4-13-10(6)15-11)9(16)7-2-1-5-17-7/h1-5H,(H,13,14,15)
InChIKeySDBBMTLBXGIKTF-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.90
Rot. Bonds2

About (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone

(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (PubChem CID 25231022) has the molecular formula C11H6ClN3OS and a molecular weight of 263.71 g/mol. Its IUPAC name is (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
PubChem CID25231022
Molecular FormulaC11H6ClN3OS
Molecular Weight263.71 g/mol
Exact Mass262.99
IUPAC Name(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(Cl)nc2[nH]ccc12
InChIInChI=1S/C11H6ClN3OS/c12-11-14-8(6-3-4-13-10(6)15-11)9(16)7-2-1-5-17-7/h1-5H,(H,13,14,15)
InChIKeySDBBMTLBXGIKTF-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (CID 25231022) is (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1nc(Cl)nc2[nH]ccc12.
What is the InChIKey of (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is SDBBMTLBXGIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3OS/c12-11-14-8(6-3-4-13-10(6)15-11)9(16)7-2-1-5-17-7/h1-5H,(H,13,14,15).
What are the key properties of (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 263.71 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 25231022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).