3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile

C14H14ClN5 — CID 62981591

IUPAC3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1nc(NN)ccc1Cl)c1cccc(C#N)c1
InChIInChI=1S/C14H14ClN5/c1-20(11-4-2-3-10(7-11)8-16)9-13-12(15)5-6-14(18-13)19-17/h2-7H,9,17H2,1H3,(H,18,19)
InChIKeyWEZJUYFWDALUKT-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.53
Rot. Bonds4

About 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile

3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile (PubChem CID 62981591) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
PubChem CID62981591
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1nc(NN)ccc1Cl)c1cccc(C#N)c1
InChIInChI=1S/C14H14ClN5/c1-20(11-4-2-3-10(7-11)8-16)9-13-12(15)5-6-14(18-13)19-17/h2-7H,9,17H2,1H3,(H,18,19)
InChIKeyWEZJUYFWDALUKT-UHFFFAOYSA-N
XLogP2.53
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile
CID 62983506
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
CID 62891013
3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
CID 79260472
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile
CID 62891363
3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62982980
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62892236
3-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62983329
3-[[(6-hydrazinyl-2-pyridinyl)methyl-methylamino]methyl]benzonitrile
CID 79232014
4-[(3-cyano-N-methylanilino)methyl]pyrimidine-5-carboxylic acid
CID 102974357
3-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]benzonitrile
CID 62981075
3-[(2-amino-6-bromophenyl)methyl-methylamino]benzonitrile
CID 62970427

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The IUPAC name of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile (CID 62981591) is 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile is CN(Cc1nc(NN)ccc1Cl)c1cccc(C#N)c1.
What is the InChIKey of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The InChIKey is WEZJUYFWDALUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-20(11-4-2-3-10(7-11)8-16)9-13-12(15)5-6-14(18-13)19-17/h2-7H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile?
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile has a molecular weight of 287.75 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 62981591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).