2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile

C12H6BrF2N3 — CID 43347821

IUPAC2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H6BrF2N3/c13-9-4-8(14)5-10(15)11(9)18-12-7(6-16)2-1-3-17-12/h1-5H,(H,17,18)
InChIKeyNDORBYXTRAKNTD-UHFFFAOYSA-N
MW310.10 g/mol
LogP3.74
Rot. Bonds2

About 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile

2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile (PubChem CID 43347821) has the molecular formula C12H6BrF2N3 and a molecular weight of 310.10 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
PubChem CID43347821
Molecular FormulaC12H6BrF2N3
Molecular Weight310.10 g/mol
Exact Mass308.97
IUPAC Name2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H6BrF2N3/c13-9-4-8(14)5-10(15)11(9)18-12-7(6-16)2-1-3-17-12/h1-5H,(H,17,18)
InChIKeyNDORBYXTRAKNTD-UHFFFAOYSA-N
XLogP3.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dibromoanilino)pyridine-3-carbonitrile
CID 107600351
2-(3,5-difluoroanilino)pyridine-3-carbonitrile
CID 24703722
4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile
CID 114901411
2-(2,5-dibromoanilino)pyridine-3-carbonitrile
CID 54955346
5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 113320557
4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile
CID 63512271
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 32572910
3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile
CID 83088195
2-(2-chloro-6-methylanilino)pyridine-3-carbonitrile
CID 66256473
2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]pyridine-3-carbonitrile
CID 65474165
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile (CID 43347821) is 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile is N#Cc1cccnc1Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile?
The InChIKey is NDORBYXTRAKNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF2N3/c13-9-4-8(14)5-10(15)11(9)18-12-7(6-16)2-1-3-17-12/h1-5H,(H,17,18).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile?
2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile has a molecular weight of 310.10 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 43347821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).