5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile

C13H8ClN5 — CID 103468593

IUPAC5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2cc(Cl)ccc2C#N)c(N)c1
InChIInChI=1S/C13H8ClN5/c14-10-2-1-9(6-16)12(4-10)19-13-11(17)3-8(5-15)7-18-13/h1-4,7H,17H2,(H,18,19)
InChIKeyULCDGNNBWRSJLG-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.80
Rot. Bonds2

About 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile

5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile (PubChem CID 103468593) has the molecular formula C13H8ClN5 and a molecular weight of 269.70 g/mol. Its IUPAC name is 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
PubChem CID103468593
Molecular FormulaC13H8ClN5
Molecular Weight269.70 g/mol
Exact Mass269.05
IUPAC Name5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2cc(Cl)ccc2C#N)c(N)c1
InChIInChI=1S/C13H8ClN5/c14-10-2-1-9(6-16)12(4-10)19-13-11(17)3-8(5-15)7-18-13/h1-4,7H,17H2,(H,18,19)
InChIKeyULCDGNNBWRSJLG-UHFFFAOYSA-N
XLogP2.80
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 79918602
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 114049863
2-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80840403
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile
CID 115474241
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841839
2-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841595
2-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841289
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
CID 103468059
5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile
CID 84605251

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile (CID 103468593) is 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile is N#Cc1cnc(Nc2cc(Cl)ccc2C#N)c(N)c1.
What is the InChIKey of 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile?
The InChIKey is ULCDGNNBWRSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5/c14-10-2-1-9(6-16)12(4-10)19-13-11(17)3-8(5-15)7-18-13/h1-4,7H,17H2,(H,18,19).
What are the key properties of 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile?
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile has a molecular weight of 269.70 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 103468593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).