2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile

C13H10FN3 — CID 131869791

IUPAC2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(N)ccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN3/c14-10-3-1-9(2-4-10)11-5-6-13(16)17-12(11)7-8-15/h1-6H,7H2,(H2,16,17)
InChIKeyNORQSVYTSGVPAB-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.54
Rot. Bonds2

About 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile

2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 131869791) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
PubChem CID131869791
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(N)ccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN3/c14-10-3-1-9(2-4-10)11-5-6-13(16)17-12(11)7-8-15/h1-6H,7H2,(H2,16,17)
InChIKeyNORQSVYTSGVPAB-UHFFFAOYSA-N
XLogP2.54
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-[6-chloro-3-(3-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870588
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368
2-[3,6-bis[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094083
2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 131870389
5-(4-chlorophenyl)-6-ethylpyridin-2-amine
CID 58709674
2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134622062
2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 131870641
2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 131870100
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
CID 82397195
2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870387

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile (CID 131869791) is 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile is N#CCc1nc(N)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is NORQSVYTSGVPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-10-3-1-9(2-4-10)11-5-6-13(16)17-12(11)7-8-15/h1-6H,7H2,(H2,16,17).
What are the key properties of 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile?
2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 131869791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).