4-(2,5-dichloroanilino)pyridine-2-carbonitrile

C12H7Cl2N3 — CID 62926848

IUPAC4-(2,5-dichloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cc(Cl)ccc2Cl)ccn1
InChIInChI=1S/C12H7Cl2N3/c13-8-1-2-11(14)12(5-8)17-9-3-4-16-10(6-9)7-15/h1-6H,(H,16,17)
InChIKeyOUEHGPVDDGTSGX-UHFFFAOYSA-N
MW264.12 g/mol
LogP4.00
Rot. Bonds2

About 4-(2,5-dichloroanilino)pyridine-2-carbonitrile

4-(2,5-dichloroanilino)pyridine-2-carbonitrile (PubChem CID 62926848) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 4-(2,5-dichloroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,5-dichloroanilino)pyridine-2-carbonitrile
PubChem CID62926848
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name4-(2,5-dichloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cc(Cl)ccc2Cl)ccn1
InChIInChI=1S/C12H7Cl2N3/c13-8-1-2-11(14)12(5-8)17-9-3-4-16-10(6-9)7-15/h1-6H,(H,16,17)
InChIKeyOUEHGPVDDGTSGX-UHFFFAOYSA-N
XLogP4.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 104723770
N-(4-cyanophenyl)-4-(2,5-dichloroanilino)pyridine-2-carboxamide
CID 109222641
4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile
CID 62937273
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
4-[[4-(2,5-dichloroanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906674
4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818029
4-hydrazinylpyridine-2-carbonitrile
CID 62925156
4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile
CID 62926532
4-(thiophen-3-ylamino)pyridine-2-carbonitrile
CID 66353511
4-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 62926534

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloroanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,5-dichloroanilino)pyridine-2-carbonitrile (CID 62926848) is 4-(2,5-dichloroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,5-dichloroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,5-dichloroanilino)pyridine-2-carbonitrile is N#Cc1cc(Nc2cc(Cl)ccc2Cl)ccn1.
What is the InChIKey of 4-(2,5-dichloroanilino)pyridine-2-carbonitrile?
The InChIKey is OUEHGPVDDGTSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-8-1-2-11(14)12(5-8)17-9-3-4-16-10(6-9)7-15/h1-6H,(H,16,17).
What are the key properties of 4-(2,5-dichloroanilino)pyridine-2-carbonitrile?
4-(2,5-dichloroanilino)pyridine-2-carbonitrile has a molecular weight of 264.12 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62926848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).