4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol

C14H10ClFN4O — CID 139405409

IUPAC4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol
SMILESOc1ccc(-c2cc(Nc3ncccc3Cl)n[nH]2)cc1F
InChIInChI=1S/C14H10ClFN4O/c15-9-2-1-5-17-14(9)18-13-7-11(19-20-13)8-3-4-12(21)10(16)6-8/h1-7,21H,(H2,17,18,19,20)
InChIKeyFZSQXYMAMWUHGS-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.71
Rot. Bonds3

About 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol

4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol (PubChem CID 139405409) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol
PubChem CID139405409
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol
SMILESOc1ccc(-c2cc(Nc3ncccc3Cl)n[nH]2)cc1F
InChIInChI=1S/C14H10ClFN4O/c15-9-2-1-5-17-14(9)18-13-7-11(19-20-13)8-3-4-12(21)10(16)6-8/h1-7,21H,(H2,17,18,19,20)
InChIKeyFZSQXYMAMWUHGS-UHFFFAOYSA-N
XLogP3.71
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol?
The IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol (CID 139405409) is 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol.
What is the SMILES notation for 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol?
The canonical SMILES for 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol is Oc1ccc(-c2cc(Nc3ncccc3Cl)n[nH]2)cc1F.
What is the InChIKey of 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol?
The InChIKey is FZSQXYMAMWUHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-9-2-1-5-17-14(9)18-13-7-11(19-20-13)8-3-4-12(21)10(16)6-8/h1-7,21H,(H2,17,18,19,20).
What are the key properties of 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol?
4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol has a molecular weight of 304.71 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol is sourced from PubChem (CID 139405409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).