3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine

C12H13Cl3N2 — CID 102751245

IUPAC3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
SMILESClc1cc(Cl)c(N(CC2CC2)C2CC2)nc1Cl
InChIInChI=1S/C12H13Cl3N2/c13-9-5-10(14)12(16-11(9)15)17(8-3-4-8)6-7-1-2-7/h5,7-8H,1-4,6H2
InChIKeySDVYTEUFHYTNKW-UHFFFAOYSA-N
MW291.61 g/mol
LogP4.42
Rot. Bonds4

About 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine

3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine (PubChem CID 102751245) has the molecular formula C12H13Cl3N2 and a molecular weight of 291.61 g/mol. Its IUPAC name is 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
PubChem CID102751245
Molecular FormulaC12H13Cl3N2
Molecular Weight291.61 g/mol
Exact Mass290.01
IUPAC Name3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
SMILESClc1cc(Cl)c(N(CC2CC2)C2CC2)nc1Cl
InChIInChI=1S/C12H13Cl3N2/c13-9-5-10(14)12(16-11(9)15)17(8-3-4-8)6-7-1-2-7/h5,7-8H,1-4,6H2
InChIKeySDVYTEUFHYTNKW-UHFFFAOYSA-N
XLogP4.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.61
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-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine
CID 79727699
5-chloro-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80844922
3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
CID 102750299
2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 80977507
6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80978847
5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
CID 64520424
3,5-dichloro-6-N-cyclopropyl-6-N-propylpyridine-2,6-diamine
CID 102755856
6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)pyrazin-2-amine
CID 64522791
2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562672
3,5-dichloro-6-N-cyclopropyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102757430
(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
CID 64519994
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine (CID 102751245) is 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine is Clc1cc(Cl)c(N(CC2CC2)C2CC2)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The InChIKey is SDVYTEUFHYTNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2/c13-9-5-10(14)12(16-11(9)15)17(8-3-4-8)6-7-1-2-7/h5,7-8H,1-4,6H2.
What are the key properties of 3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine has a molecular weight of 291.61 g/mol, XLogP of 4.42, 4 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-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine is sourced from PubChem (CID 102751245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).