3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine

C11H13Cl3N2 — CID 102750299

IUPAC3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
SMILESCN(c1nc(Cl)c(Cl)cc1Cl)C1CCCC1
InChIInChI=1S/C11H13Cl3N2/c1-16(7-4-2-3-5-7)11-9(13)6-8(12)10(14)15-11/h6-7H,2-5H2,1H3
InChIKeyJDZVRMQRXUOCFV-UHFFFAOYSA-N
MW279.60 g/mol
LogP4.42
Rot. Bonds2

About 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine

3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine (PubChem CID 102750299) has the molecular formula C11H13Cl3N2 and a molecular weight of 279.60 g/mol. Its IUPAC name is 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
PubChem CID102750299
Molecular FormulaC11H13Cl3N2
Molecular Weight279.60 g/mol
Exact Mass278.01
IUPAC Name3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
SMILESCN(c1nc(Cl)c(Cl)cc1Cl)C1CCCC1
InChIInChI=1S/C11H13Cl3N2/c1-16(7-4-2-3-5-7)11-9(13)6-8(12)10(14)15-11/h6-7H,2-5H2,1H3
InChIKeyJDZVRMQRXUOCFV-UHFFFAOYSA-N
XLogP4.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.60
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-N-cycloheptyl-4-N-methylpyrimidine-2,4-diamine
CID 80789751
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine
CID 81037778
5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80927595
3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
CID 102751245
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 102750806
2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756278
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine (CID 102750299) is 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine is CN(c1nc(Cl)c(Cl)cc1Cl)C1CCCC1.
What is the InChIKey of 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine?
The InChIKey is JDZVRMQRXUOCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2/c1-16(7-4-2-3-5-7)11-9(13)6-8(12)10(14)15-11/h6-7H,2-5H2,1H3.
What are the key properties of 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine?
3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine has a molecular weight of 279.60 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine is sourced from PubChem (CID 102750299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).