2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol

C16H16ClFN4O2 — CID 155146999

IUPAC2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-n2c(CCO)c(F)c3cnc(Cl)nc32)n1
InChIInChI=1S/C16H16ClFN4O2/c1-16(2,24)11-4-3-5-12(20-11)22-10(6-7-23)13(18)9-8-19-15(17)21-14(9)22/h3-5,8,23-24H,6-7H2,1-2H3
InChIKeyONHWDHUCYNXNPX-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.37
Rot. Bonds4

About 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol

2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol (PubChem CID 155146999) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
PubChem CID155146999
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-n2c(CCO)c(F)c3cnc(Cl)nc32)n1
InChIInChI=1S/C16H16ClFN4O2/c1-16(2,24)11-4-3-5-12(20-11)22-10(6-7-23)13(18)9-8-19-15(17)21-14(9)22/h3-5,8,23-24H,6-7H2,1-2H3
InChIKeyONHWDHUCYNXNPX-UHFFFAOYSA-N
XLogP2.37
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol (CID 155146999) is 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(-n2c(CCO)c(F)c3cnc(Cl)nc32)n1.
What is the InChIKey of 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is ONHWDHUCYNXNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c1-16(2,24)11-4-3-5-12(20-11)22-10(6-7-23)13(18)9-8-19-15(17)21-14(9)22/h3-5,8,23-24H,6-7H2,1-2H3.
What are the key properties of 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol?
2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 350.78 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-chloro-5-fluoro-6-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155146999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).