6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine

C9H11ClF3N3 — CID 115474266

IUPAC6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
SMILESCN(CCC(F)(F)F)c1nc(Cl)ccc1N
InChIInChI=1S/C9H11ClF3N3/c1-16(5-4-9(11,12)13)8-6(14)2-3-7(10)15-8/h2-3H,4-5,14H2,1H3
InChIKeyITIAQMYFDBQHKI-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.71
Rot. Bonds3

About 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine

6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine (PubChem CID 115474266) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
PubChem CID115474266
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
SMILESCN(CCC(F)(F)F)c1nc(Cl)ccc1N
InChIInChI=1S/C9H11ClF3N3/c1-16(5-4-9(11,12)13)8-6(14)2-3-7(10)15-8/h2-3H,4-5,14H2,1H3
InChIKeyITIAQMYFDBQHKI-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
CID 115474337
5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197978
3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 102751324
2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321956
4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine
CID 64566301
6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
CID 113316760
2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 115473782
6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 115515354
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875830
4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 80509001

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine (CID 115474266) is 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine is CN(CCC(F)(F)F)c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The InChIKey is ITIAQMYFDBQHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-16(5-4-9(11,12)13)8-6(14)2-3-7(10)15-8/h2-3H,4-5,14H2,1H3.
What are the key properties of 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine has a molecular weight of 253.65 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).