4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

C7H5ClN4O — CID 59361004

IUPAC4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C7H5ClN4O/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5/h1-2H,(H2,9,13)(H,10,11,12)
InChIKeyUDUGGOYXXDQLEP-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.71
Rot. Bonds1

About 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 59361004) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID59361004
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C7H5ClN4O/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5/h1-2H,(H2,9,13)(H,10,11,12)
InChIKeyUDUGGOYXXDQLEP-UHFFFAOYSA-N
XLogP0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5475039
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CID 14809282
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CID 510434
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CID 19064035
CID 19064035
CID 22460866
CID 22460866
CID 59442336
CID 59442336
CID 118796249
CID 118796249
CID 510435
CID 510435
CID 510436
CID 510436
CID 84015702
CID 84015702
CID 24740491
CID 24740491
CID 45084617
CID 45084617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 59361004) is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is NC(=O)c1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UDUGGOYXXDQLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5/h1-2H,(H2,9,13)(H,10,11,12).
What are the key properties of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 196.60 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 59361004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).