3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine

C10H12F2N2 — CID 130632036

IUPAC3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine
SMILESC=C(CC)CNc1ncc(F)cc1F
InChIInChI=1S/C10H12F2N2/c1-3-7(2)5-13-10-9(12)4-8(11)6-14-10/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyQSKGXPYVWOAIMM-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.74
Rot. Bonds4

About 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine

3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine (PubChem CID 130632036) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine
PubChem CID130632036
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine
SMILESC=C(CC)CNc1ncc(F)cc1F
InChIInChI=1S/C10H12F2N2/c1-3-7(2)5-13-10-9(12)4-8(11)6-14-10/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyQSKGXPYVWOAIMM-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153237
5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
CID 104924052
3,5-difluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 112675783
3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine
CID 131187821
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 112676097
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
CID 112675793
5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine
CID 126987115

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine (CID 130632036) is 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine is C=C(CC)CNc1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine?
The InChIKey is QSKGXPYVWOAIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-3-7(2)5-13-10-9(12)4-8(11)6-14-10/h4,6H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine?
3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine has a molecular weight of 198.22 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine is sourced from PubChem (CID 130632036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).