2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile

C11H5Cl2FN4 — CID 82016257

IUPAC2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H5Cl2FN4/c12-8-5-16-11(13)18-10(8)17-9-2-1-7(14)3-6(9)4-15/h1-3,5H,(H,16,17,18)
InChIKeyMHSMCZQREGXLMJ-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.54
Rot. Bonds2

About 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile

2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile (PubChem CID 82016257) has the molecular formula C11H5Cl2FN4 and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
PubChem CID82016257
Molecular FormulaC11H5Cl2FN4
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H5Cl2FN4/c12-8-5-16-11(13)18-10(8)17-9-2-1-7(14)3-6(9)4-15/h1-3,5H,(H,16,17,18)
InChIKeyMHSMCZQREGXLMJ-UHFFFAOYSA-N
XLogP3.54
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide
CID 87330247
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
3-chloro-4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]benzonitrile
CID 114003592
2,5-dichloro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 79632308
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile (CID 82016257) is 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The InChIKey is MHSMCZQREGXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN4/c12-8-5-16-11(13)18-10(8)17-9-2-1-7(14)3-6(9)4-15/h1-3,5H,(H,16,17,18).
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile?
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile has a molecular weight of 283.09 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 82016257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).