3-fluoro-4-(pyridin-3-ylamino)benzonitrile

C12H8FN3 — CID 43657005

IUPAC3-fluoro-4-(pyridin-3-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2cccnc2)c(F)c1
InChIInChI=1S/C12H8FN3/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8,16H
InChIKeyBTYJJWULDUAGHJ-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.84
Rot. Bonds2

About 3-fluoro-4-(pyridin-3-ylamino)benzonitrile

3-fluoro-4-(pyridin-3-ylamino)benzonitrile (PubChem CID 43657005) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-fluoro-4-(pyridin-3-ylamino)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(pyridin-3-ylamino)benzonitrile
PubChem CID43657005
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name3-fluoro-4-(pyridin-3-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2cccnc2)c(F)c1
InChIInChI=1S/C12H8FN3/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8,16H
InChIKeyBTYJJWULDUAGHJ-UHFFFAOYSA-N
XLogP2.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(3-fluoroanilino)benzonitrile
CID 43657175
3-nitro-4-(pyridin-3-ylamino)benzonitrile
CID 58408467
3-fluoro-4-(3-iodoanilino)benzonitrile
CID 43657311
3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
CID 43808556
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
N-(2,3,4-trifluorophenyl)pyridin-3-amine
CID 82537499
4-[(5-aminoisoquinolin-8-yl)amino]-3-fluorobenzonitrile
CID 103138842
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
CID 166807393
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
3-fluoro-4-(methylamino)benzonitrile
CID 21029569

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(pyridin-3-ylamino)benzonitrile?
The IUPAC name of 3-fluoro-4-(pyridin-3-ylamino)benzonitrile (CID 43657005) is 3-fluoro-4-(pyridin-3-ylamino)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(pyridin-3-ylamino)benzonitrile?
The canonical SMILES for 3-fluoro-4-(pyridin-3-ylamino)benzonitrile is N#Cc1ccc(Nc2cccnc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(pyridin-3-ylamino)benzonitrile?
The InChIKey is BTYJJWULDUAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-11-6-9(7-14)3-4-12(11)16-10-2-1-5-15-8-10/h1-6,8,16H.
What are the key properties of 3-fluoro-4-(pyridin-3-ylamino)benzonitrile?
3-fluoro-4-(pyridin-3-ylamino)benzonitrile has a molecular weight of 213.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(pyridin-3-ylamino)benzonitrile is sourced from PubChem (CID 43657005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).