1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine

C10H14ClFN2 — CID 79734658

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ncc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2/c1-6(2)9(13)4-10-8(12)3-7(11)5-14-10/h3,5-6,9H,4,13H2,1-2H3
InChIKeyBMESTGCECAFZLZ-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.40
Rot. Bonds3

About 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine

1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine (PubChem CID 79734658) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine
PubChem CID79734658
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine
SMILESCC(C)C(N)Cc1ncc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2/c1-6(2)9(13)4-10-8(12)3-7(11)5-14-10/h3,5-6,9H,4,13H2,1-2H3
InChIKeyBMESTGCECAFZLZ-UHFFFAOYSA-N
XLogP2.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine (CID 79734658) is 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine is CC(C)C(N)Cc1ncc(Cl)cc1F.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine?
The InChIKey is BMESTGCECAFZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-6(2)9(13)4-10-8(12)3-7(11)5-14-10/h3,5-6,9H,4,13H2,1-2H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine?
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine has a molecular weight of 216.69 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine is sourced from PubChem (CID 79734658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).