3-fluoro-5-(2-methylpropyl)pyridin-2-amine

C9H13FN2 — CID 170761573

IUPAC3-fluoro-5-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)Cc1cnc(N)c(F)c1
InChIInChI=1S/C9H13FN2/c1-6(2)3-7-4-8(10)9(11)12-5-7/h4-6H,3H2,1-2H3,(H2,11,12)
InChIKeyUWYYEUQWJNMXME-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.00
Rot. Bonds2

About 3-fluoro-5-(2-methylpropyl)pyridin-2-amine

3-fluoro-5-(2-methylpropyl)pyridin-2-amine (PubChem CID 170761573) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-fluoro-5-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-5-(2-methylpropyl)pyridin-2-amine
PubChem CID170761573
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name3-fluoro-5-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)Cc1cnc(N)c(F)c1
InChIInChI=1S/C9H13FN2/c1-6(2)3-7-4-8(10)9(11)12-5-7/h4-6H,3H2,1-2H3,(H2,11,12)
InChIKeyUWYYEUQWJNMXME-UHFFFAOYSA-N
XLogP2.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-5-(2-methylpropyl)pyridin-2-amine (CID 170761573) is 3-fluoro-5-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-5-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-5-(2-methylpropyl)pyridin-2-amine is CC(C)Cc1cnc(N)c(F)c1.
What is the InChIKey of 3-fluoro-5-(2-methylpropyl)pyridin-2-amine?
The InChIKey is UWYYEUQWJNMXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-6(2)3-7-4-8(10)9(11)12-5-7/h4-6H,3H2,1-2H3,(H2,11,12).
What are the key properties of 3-fluoro-5-(2-methylpropyl)pyridin-2-amine?
3-fluoro-5-(2-methylpropyl)pyridin-2-amine has a molecular weight of 168.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 170761573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).