3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile

C12H8Cl2N4 — CID 103467416

IUPAC3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1nc(Nc2cc(Cl)cc(Cl)c2)ccc1N
InChIInChI=1S/C12H8Cl2N4/c13-7-3-8(14)5-9(4-7)17-12-2-1-10(16)11(6-15)18-12/h1-5H,16H2,(H,17,18)
InChIKeyNLWNDTRYEOLFRP-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.59
Rot. Bonds2

About 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile

3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile (PubChem CID 103467416) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile
PubChem CID103467416
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1nc(Nc2cc(Cl)cc(Cl)c2)ccc1N
InChIInChI=1S/C12H8Cl2N4/c13-7-3-8(14)5-9(4-7)17-12-2-1-10(16)11(6-15)18-12/h1-5H,16H2,(H,17,18)
InChIKeyNLWNDTRYEOLFRP-UHFFFAOYSA-N
XLogP3.59
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
CID 103468291
3-amino-6-(naphthalen-2-ylamino)pyridine-2-carbonitrile
CID 10658994
3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 103467409
3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
CID 103467393
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
3-amino-6-[(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)amino]pyridine-2-carbonitrile
CID 103468626
3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 103469069
3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile
CID 103468701
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile
CID 103468643

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile (CID 103467416) is 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile is N#Cc1nc(Nc2cc(Cl)cc(Cl)c2)ccc1N.
What is the InChIKey of 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile?
The InChIKey is NLWNDTRYEOLFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-7-3-8(14)5-9(4-7)17-12-2-1-10(16)11(6-15)18-12/h1-5H,16H2,(H,17,18).
What are the key properties of 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile?
3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile has a molecular weight of 279.13 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 103467416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).