4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine

C13H10ClN3O — CID 139222828

IUPAC4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccccc1-c1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C13H10ClN3O/c1-18-10-5-3-2-4-8(10)9-6-15-13-11(9)12(14)16-7-17-13/h2-7H,1H3,(H,15,16,17)
InChIKeyASNADZZNZWQVAP-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.29
Rot. Bonds2

About 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 139222828) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID139222828
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccccc1-c1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C13H10ClN3O/c1-18-10-5-3-2-4-8(10)9-6-15-13-11(9)12(14)16-7-17-13/h2-7H,1H3,(H,15,16,17)
InChIKeyASNADZZNZWQVAP-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 91507947
6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 19095701
3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59699759
4-[5-(5-fluoro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylmorpholine
CID 123159608
[4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82282609
(NZ)-N-[(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylidene]hydroxylamine;ethane
CID 144514753
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
2-chloro-3-(2-methoxyphenyl)quinoline
CID 13200184
5-(2-chlorophenyl)-7-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256952
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 139222828) is 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine is COc1ccccc1-c1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is ASNADZZNZWQVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-18-10-5-3-2-4-8(10)9-6-15-13-11(9)12(14)16-7-17-13/h2-7H,1H3,(H,15,16,17).
What are the key properties of 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 259.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 139222828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).