(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile

C10H6FN3 — CID 119090550

IUPAC(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile
SMILESN#C/C(F)=C/c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H6FN3/c11-9(5-12)4-7-1-2-10-8(3-7)6-13-14-10/h1-4,6H,(H,13,14)/b9-4-
InChIKeyPZURKUPRPQEPDD-WTKPLQERSA-N
MW187.18 g/mol
LogP2.40
Rot. Bonds1

About (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile

(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile (PubChem CID 119090550) has the molecular formula C10H6FN3 and a molecular weight of 187.18 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile
PubChem CID119090550
Molecular FormulaC10H6FN3
Molecular Weight187.18 g/mol
Exact Mass187.05
IUPAC Name(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile
SMILESN#C/C(F)=C/c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H6FN3/c11-9(5-12)4-7-1-2-10-8(3-7)6-13-14-10/h1-4,6H,(H,13,14)/b9-4-
InChIKeyPZURKUPRPQEPDD-WTKPLQERSA-N
XLogP2.40
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide
CID 67207778
(Z)-3-(1H-indazol-5-yl)-2-(2-methylbenzoyl)prop-2-enenitrile
CID 167961084
4-(1H-indazol-5-yl)but-3-en-1-ol
CID 170476685
1H-indazole-5-carbaldehyde;(E)-3-(1H-indazol-5-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile;3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 158890899
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
4-(1H-indazol-6-yl)but-3-enenitrile
CID 170799818
5-[(E)-2-[4-chloro-2-(trifluoromethyl)phenyl]but-1-enyl]-1H-indazole
CID 141327847
N-cyano-1H-indazole-5-carboxamide
CID 79195271
5-[(E)-2-(4-pyridin-4-yloxyphenyl)but-1-enyl]-1H-indazole
CID 141327819
1H-indazole-5-thiolate
CID 51922109
5-[(E)-2-(2-chloro-5-methoxyphenyl)but-1-enyl]-1H-indazole
CID 141327834
6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline
CID 163628297

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile (CID 119090550) is (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile is N#C/C(F)=C/c1ccc2[nH]ncc2c1.
What is the InChIKey of (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile?
The InChIKey is PZURKUPRPQEPDD-WTKPLQERSA-N. The full InChI is InChI=1S/C10H6FN3/c11-9(5-12)4-7-1-2-10-8(3-7)6-13-14-10/h1-4,6H,(H,13,14)/b9-4-.
What are the key properties of (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile?
(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile has a molecular weight of 187.18 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile is sourced from PubChem (CID 119090550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).