N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine

C9H11ClF2N2 — CID 22121189

IUPACN-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine
SMILESCC(C)(C)Nc1nc(F)c(Cl)cc1F
InChIInChI=1S/C9H11ClF2N2/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H,13,14)
InChIKeySAEKGLMRDKTHNV-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.22
Rot. Bonds1

About N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine

N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine (PubChem CID 22121189) has the molecular formula C9H11ClF2N2 and a molecular weight of 220.65 g/mol. Its IUPAC name is N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine
PubChem CID22121189
Molecular FormulaC9H11ClF2N2
Molecular Weight220.65 g/mol
Exact Mass220.06
IUPAC NameN-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine
SMILESCC(C)(C)Nc1nc(F)c(Cl)cc1F
InChIInChI=1S/C9H11ClF2N2/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H,13,14)
InChIKeySAEKGLMRDKTHNV-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

t-Butyl-(5-chloro-pyridin-2-yl)-amine
CID 3735257
6-Chloro-3-fluoropyridin-2-amine
CID 21790134
5-Chloro-3,6-difluoropyridin-2-amine
CID 22121247
3-Chloro-6-fluoropyridin-2-amine
CID 53485464
3-Chloropyridine-2,6-diamine
CID 12263994
5-Chloro-2-diethylaminotrifluoropyridine
CID 85757812
N-(4-chlorophenyl)-3-fluoro-6-methylpyridin-2-amine
CID 162413009
3,5-Dichloropyridine-2,6-diamine
CID 12674799
6-chloro-N-(4-fluorophenyl)pyridin-2-amine
CID 11673008
2-Amino-3,6-dichloro-5-trifluoromethylpyridine
CID 13064154
6-Chloro-5-fluoropyridin-2-amine
CID 13290752
N2-(tert-butyl)-3,5-difluoropyridine-2,6-diamine
CID 15896287

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine?
The IUPAC name of N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine (CID 22121189) is N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine.
What is the SMILES notation for N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine?
The canonical SMILES for N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine is CC(C)(C)Nc1nc(F)c(Cl)cc1F.
What is the InChIKey of N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine?
The InChIKey is SAEKGLMRDKTHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2/c1-9(2,3)14-8-6(11)4-5(10)7(12)13-8/h4H,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine?
N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine has a molecular weight of 220.65 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloro-3,6-difluoropyridin-2-amine is sourced from PubChem (CID 22121189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).