N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine

C11H7ClFN5 — CID 22060782

IUPACN-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
SMILESFc1cnc(Cl)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H7ClFN5/c12-11-14-5-8(13)10(17-11)16-7-1-2-9-6(3-7)4-15-18-9/h1-5H,(H,15,18)(H,14,16,17)
InChIKeyIZPSVWYUIMCWSJ-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.89
Rot. Bonds2

About N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine

N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine (PubChem CID 22060782) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
PubChem CID22060782
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC NameN-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
SMILESFc1cnc(Cl)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H7ClFN5/c12-11-14-5-8(13)10(17-11)16-7-1-2-9-6(3-7)4-15-18-9/h1-5H,(H,15,18)(H,14,16,17)
InChIKeyIZPSVWYUIMCWSJ-UHFFFAOYSA-N
XLogP2.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine?
The IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine (CID 22060782) is N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine?
The canonical SMILES for N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine is Fc1cnc(Cl)nc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine?
The InChIKey is IZPSVWYUIMCWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-11-14-5-8(13)10(17-11)16-7-1-2-9-6(3-7)4-15-18-9/h1-5H,(H,15,18)(H,14,16,17).
What are the key properties of N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine?
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine has a molecular weight of 263.66 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine is sourced from PubChem (CID 22060782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).