7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C12H6ClFN4O — CID 135376806

IUPAC7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C12H6ClFN4O/c13-11-2-10(7-1-9(14)5-15-3-7)17-12-8(6-19)4-16-18(11)12/h1-6H
InChIKeyJPEFXLIMPHIBEP-UHFFFAOYSA-N
MW276.66 g/mol
LogP2.40
Rot. Bonds2

About 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 135376806) has the molecular formula C12H6ClFN4O and a molecular weight of 276.66 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID135376806
Molecular FormulaC12H6ClFN4O
Molecular Weight276.66 g/mol
Exact Mass276.02
IUPAC Name7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C12H6ClFN4O/c13-11-2-10(7-1-9(14)5-15-3-7)17-12-8(6-19)4-16-18(11)12/h1-6H
InChIKeyJPEFXLIMPHIBEP-UHFFFAOYSA-N
XLogP2.40
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.66
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 159834441
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870
7-chloro-3-cyclopropyl-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-c]pyrimidine
CID 167320601
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 6484683
[4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol
CID 155220135
7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 87767602
7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 154540820
7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158606271
4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802824
5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 105477090
6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine
CID 91311882
3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135363207

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 135376806) is 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is JPEFXLIMPHIBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN4O/c13-11-2-10(7-1-9(14)5-15-3-7)17-12-8(6-19)4-16-18(11)12/h1-6H.
What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 276.66 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 135376806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).