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

C9H13FN2 — CID 130485397

IUPAC5-fluoro-N-(2-methylpropyl)pyridin-3-amine
SMILESCC(C)CNc1cncc(F)c1
InChIInChI=1S/C9H13FN2/c1-7(2)4-12-9-3-8(10)5-11-6-9/h3,5-7,12H,4H2,1-2H3
InChIKeyQAFUUIXELWJCIV-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.29
Rot. Bonds3

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

5-fluoro-N-(2-methylpropyl)pyridin-3-amine (PubChem CID 130485397) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-fluoro-N-(2-methylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methylpropyl)pyridin-3-amine
PubChem CID130485397
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name5-fluoro-N-(2-methylpropyl)pyridin-3-amine
SMILESCC(C)CNc1cncc(F)c1
InChIInChI=1S/C9H13FN2/c1-7(2)4-12-9-3-8(10)5-11-6-9/h3,5-7,12H,4H2,1-2H3
InChIKeyQAFUUIXELWJCIV-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(3-methylbutyl)pyridin-3-amine
CID 126972918
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
3,4,5-trifluoro-N-(2-methylpropyl)aniline
CID 62809579
N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
CID 114217566
5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine
CID 130497123
N-(cyclopentylmethyl)-5-fluoropyridin-3-amine
CID 130164803
N-(1-cyclobutylethyl)-5-fluoropyridin-3-amine
CID 126987329
N-(5-fluoro-3-pyridinyl)-2,2-dimethylpropanamide
CID 86726332
5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine
CID 113342955
N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
CID 114217558
N-cyclopentyl-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224923

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methylpropyl)pyridin-3-amine?
The IUPAC name of 5-fluoro-N-(2-methylpropyl)pyridin-3-amine (CID 130485397) is 5-fluoro-N-(2-methylpropyl)pyridin-3-amine.
What is the SMILES notation for 5-fluoro-N-(2-methylpropyl)pyridin-3-amine?
The canonical SMILES for 5-fluoro-N-(2-methylpropyl)pyridin-3-amine is CC(C)CNc1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(2-methylpropyl)pyridin-3-amine?
The InChIKey is QAFUUIXELWJCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-7(2)4-12-9-3-8(10)5-11-6-9/h3,5-7,12H,4H2,1-2H3.
What are the key properties of 5-fluoro-N-(2-methylpropyl)pyridin-3-amine?
5-fluoro-N-(2-methylpropyl)pyridin-3-amine has a molecular weight of 168.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methylpropyl)pyridin-3-amine is sourced from PubChem (CID 130485397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).