2,4-dichloro-3-propan-2-ylbenzonitrile

C10H9Cl2N — CID 146551409

IUPAC2,4-dichloro-3-propan-2-ylbenzonitrile
SMILESCC(C)c1c(Cl)ccc(C#N)c1Cl
InChIInChI=1S/C10H9Cl2N/c1-6(2)9-8(11)4-3-7(5-13)10(9)12/h3-4,6H,1-2H3
InChIKeyGAFDZUGMKNEVKP-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.99
Rot. Bonds1

About 2,4-dichloro-3-propan-2-ylbenzonitrile

2,4-dichloro-3-propan-2-ylbenzonitrile (PubChem CID 146551409) has the molecular formula C10H9Cl2N and a molecular weight of 214.09 g/mol. Its IUPAC name is 2,4-dichloro-3-propan-2-ylbenzonitrile.

Molecular Properties

Compound Name2,4-dichloro-3-propan-2-ylbenzonitrile
PubChem CID146551409
Molecular FormulaC10H9Cl2N
Molecular Weight214.09 g/mol
Exact Mass213.01
IUPAC Name2,4-dichloro-3-propan-2-ylbenzonitrile
SMILESCC(C)c1c(Cl)ccc(C#N)c1Cl
InChIInChI=1S/C10H9Cl2N/c1-6(2)9-8(11)4-3-7(5-13)10(9)12/h3-4,6H,1-2H3
InChIKeyGAFDZUGMKNEVKP-UHFFFAOYSA-N
XLogP3.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-propan-2-ylbenzonitrile
CID 59856292
2,3-dichloro-4-methylbenzonitrile
CID 67913436
3-chloro-2-(1-fluoroethyl)benzonitrile
CID 117279674
2,4-dichloro-3-(difluoromethoxy)benzonitrile
CID 119009629
2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile
CID 167634720
2,3-dichloro-4-sulfanylbenzonitrile
CID 91874129
4-chloro-2,3-difluorobenzonitrile
CID 67940983
2-chloro-5-(2-methylpropylamino)benzonitrile
CID 43686844
3-chloro-2-propan-2-yl-5-(4-propan-2-ylphenyl)sulfonylbenzonitrile
CID 176626532
2-propan-2-yl-5-(4-propan-2-ylphenyl)sulfinylbenzene-1,3-dicarbonitrile
CID 176626070
3-acetyl-4-chloro-2-(difluoromethyl)benzonitrile
CID 171001262
2-(2,6-dichloro-3-cyanophenyl)acetic acid
CID 121278950

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-propan-2-ylbenzonitrile?
The IUPAC name of 2,4-dichloro-3-propan-2-ylbenzonitrile (CID 146551409) is 2,4-dichloro-3-propan-2-ylbenzonitrile.
What is the SMILES notation for 2,4-dichloro-3-propan-2-ylbenzonitrile?
The canonical SMILES for 2,4-dichloro-3-propan-2-ylbenzonitrile is CC(C)c1c(Cl)ccc(C#N)c1Cl.
What is the InChIKey of 2,4-dichloro-3-propan-2-ylbenzonitrile?
The InChIKey is GAFDZUGMKNEVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N/c1-6(2)9-8(11)4-3-7(5-13)10(9)12/h3-4,6H,1-2H3.
What are the key properties of 2,4-dichloro-3-propan-2-ylbenzonitrile?
2,4-dichloro-3-propan-2-ylbenzonitrile has a molecular weight of 214.09 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-propan-2-ylbenzonitrile is sourced from PubChem (CID 146551409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).