2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol

C14H12ClFN4O — CID 162356308

IUPAC2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol
SMILESNc1ccc(-c2cn(CCO)c3ncnc(Cl)c23)c(F)c1
InChIInChI=1S/C14H12ClFN4O/c15-13-12-10(9-2-1-8(17)5-11(9)16)6-20(3-4-21)14(12)19-7-18-13/h1-2,5-7,21H,3-4,17H2
InChIKeyJFOUZBAPVCUDNA-UHFFFAOYSA-N
MW306.73 g/mol
LogP2.47
Rot. Bonds3

About 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol

2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol (PubChem CID 162356308) has the molecular formula C14H12ClFN4O and a molecular weight of 306.73 g/mol. Its IUPAC name is 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol
PubChem CID162356308
Molecular FormulaC14H12ClFN4O
Molecular Weight306.73 g/mol
Exact Mass306.07
IUPAC Name2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol
SMILESNc1ccc(-c2cn(CCO)c3ncnc(Cl)c23)c(F)c1
InChIInChI=1S/C14H12ClFN4O/c15-13-12-10(9-2-1-8(17)5-11(9)16)6-20(3-4-21)14(12)19-7-18-13/h1-2,5-7,21H,3-4,17H2
InChIKeyJFOUZBAPVCUDNA-UHFFFAOYSA-N
XLogP2.47
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-chloro-7-(2-methylsulfanylethyl)pyrrolo[2,3-d]pyrimidin-5-yl]aniline
CID 135198197
[4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate
CID 175193679
4-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)aniline
CID 122512826
3-(4-amino-2-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139559153
N-[4-[4-amino-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 162356300
2-[4-chloro-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
CID 87609031
7-benzyl-4-chloro-5-fluoropyrrolo[2,3-d]pyrimidine
CID 84819802
ethyl 2-[4-chloro-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetate
CID 89166694
1-[3-[2-[4-amino-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl]-4-fluorophenyl]-2-cyclopropylethanone
CID 149080684
5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 175450495
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152
(3R)-3-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
CID 70829931

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The IUPAC name of 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol (CID 162356308) is 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol.
What is the SMILES notation for 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The canonical SMILES for 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol is Nc1ccc(-c2cn(CCO)c3ncnc(Cl)c23)c(F)c1.
What is the InChIKey of 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The InChIKey is JFOUZBAPVCUDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O/c15-13-12-10(9-2-1-8(17)5-11(9)16)6-20(3-4-21)14(12)19-7-18-13/h1-2,5-7,21H,3-4,17H2.
What are the key properties of 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol has a molecular weight of 306.73 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol is sourced from PubChem (CID 162356308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).