2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile

C14H10Cl2N2 — CID 70611395

IUPAC2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cc1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2/c15-12-5-6-13(18)11(14(12)16)7-9-3-1-2-4-10(9)8-17/h1-6H,7,18H2
InChIKeyHMTCWXMQKZXYRP-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.04
Rot. Bonds2

About 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile

2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile (PubChem CID 70611395) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile
PubChem CID70611395
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cc1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2/c15-12-5-6-13(18)11(14(12)16)7-9-3-1-2-4-10(9)8-17/h1-6H,7,18H2
InChIKeyHMTCWXMQKZXYRP-UHFFFAOYSA-N
XLogP4.04
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-[(3,6-dichloro-2-pyridinyl)methyl]benzonitrile
CID 88841187
2-[(3-amino-2-fluorophenyl)methyl]benzonitrile
CID 177164540
2-[(3-amino-4-chlorophenoxy)methyl]benzonitrile
CID 58022209
2-(6-amino-2-chloro-3-cyanophenyl)acetic acid
CID 171021725
2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 103604235
2-chlorobenzonitrile
CID 139060041
4-amino-3-chloro-2-(cyanomethyl)benzonitrile
CID 171021607
2-[(4-chloro-1-methyl-6-oxopyrimidin-5-yl)methyl]benzonitrile
CID 11550663
2-[(6-chloro-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]benzonitrile
CID 69301625
2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
2-(iodomethyl)benzonitrile
CID 64788563

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile?
The IUPAC name of 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile (CID 70611395) is 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile.
What is the SMILES notation for 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile?
The canonical SMILES for 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile is N#Cc1ccccc1Cc1c(N)ccc(Cl)c1Cl.
What is the InChIKey of 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile?
The InChIKey is HMTCWXMQKZXYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-12-5-6-13(18)11(14(12)16)7-9-3-1-2-4-10(9)8-17/h1-6H,7,18H2.
What are the key properties of 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile?
2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile has a molecular weight of 277.15 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,3-dichlorophenyl)methyl]benzonitrile is sourced from PubChem (CID 70611395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).