5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine

C12H12FN3 — CID 60876890

IUPAC5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(NCc2cccnc2)c1
InChIInChI=1S/C12H12FN3/c13-10-4-11(14)6-12(5-10)16-8-9-2-1-3-15-7-9/h1-7,16H,8,14H2
InChIKeyKFSCWRQGVKWEID-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.41
Rot. Bonds3

About 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine

5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine (PubChem CID 60876890) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
PubChem CID60876890
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(NCc2cccnc2)c1
InChIInChI=1S/C12H12FN3/c13-10-4-11(14)6-12(5-10)16-8-9-2-1-3-15-7-9/h1-7,16H,8,14H2
InChIKeyKFSCWRQGVKWEID-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-fluoro-4-[4-(pyridin-3-ylmethylamino)phenoxy]aniline
CID 22663893
2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol
CID 18778349
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 60876320
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 61285074
2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 55232938
4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60984178
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
3-N-[(2-chlorophenyl)methyl]-5-fluorobenzene-1,3-diamine
CID 60875169
5-fluoro-2-(pyridin-3-ylmethylamino)benzenecarbothioamide
CID 63672661

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine (CID 60876890) is 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine is Nc1cc(F)cc(NCc2cccnc2)c1.
What is the InChIKey of 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine?
The InChIKey is KFSCWRQGVKWEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-10-4-11(14)6-12(5-10)16-8-9-2-1-3-15-7-9/h1-7,16H,8,14H2.
What are the key properties of 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine?
5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine has a molecular weight of 217.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 60876890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).