6-tert-butyl-5-chloro-3-fluoropyridin-2-amine

C9H12ClFN2 — CID 171756183

IUPAC6-tert-butyl-5-chloro-3-fluoropyridin-2-amine
SMILESCC(C)(C)c1nc(N)c(F)cc1Cl
InChIInChI=1S/C9H12ClFN2/c1-9(2,3)7-5(10)4-6(11)8(12)13-7/h4H,1-3H3,(H2,12,13)
InChIKeyDXDRIGRIZFCFNA-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.75
Rot. Bonds

About 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine

6-tert-butyl-5-chloro-3-fluoropyridin-2-amine (PubChem CID 171756183) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-3-fluoropyridin-2-amine
PubChem CID171756183
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name6-tert-butyl-5-chloro-3-fluoropyridin-2-amine
SMILESCC(C)(C)c1nc(N)c(F)cc1Cl
InChIInChI=1S/C9H12ClFN2/c1-9(2,3)7-5(10)4-6(11)8(12)13-7/h4H,1-3H3,(H2,12,13)
InChIKeyDXDRIGRIZFCFNA-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine?
The IUPAC name of 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine (CID 171756183) is 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine.
What is the SMILES notation for 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine?
The canonical SMILES for 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine is CC(C)(C)c1nc(N)c(F)cc1Cl.
What is the InChIKey of 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine?
The InChIKey is DXDRIGRIZFCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2/c1-9(2,3)7-5(10)4-6(11)8(12)13-7/h4H,1-3H3,(H2,12,13).
What are the key properties of 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine?
6-tert-butyl-5-chloro-3-fluoropyridin-2-amine has a molecular weight of 202.66 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-3-fluoropyridin-2-amine is sourced from PubChem (CID 171756183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).