2-[(3-fluoroanilino)methyl]pyridin-3-amine

C12H12FN3 — CID 105470902

IUPAC2-[(3-fluoroanilino)methyl]pyridin-3-amine
SMILESNc1cccnc1CNc1cccc(F)c1
InChIInChI=1S/C12H12FN3/c13-9-3-1-4-10(7-9)16-8-12-11(14)5-2-6-15-12/h1-7,16H,8,14H2
InChIKeyNSHCPFVNJFLJOI-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.41
Rot. Bonds3

About 2-[(3-fluoroanilino)methyl]pyridin-3-amine

2-[(3-fluoroanilino)methyl]pyridin-3-amine (PubChem CID 105470902) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-[(3-fluoroanilino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3-fluoroanilino)methyl]pyridin-3-amine
PubChem CID105470902
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name2-[(3-fluoroanilino)methyl]pyridin-3-amine
SMILESNc1cccnc1CNc1cccc(F)c1
InChIInChI=1S/C12H12FN3/c13-9-3-1-4-10(7-9)16-8-12-11(14)5-2-6-15-12/h1-7,16H,8,14H2
InChIKeyNSHCPFVNJFLJOI-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

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Related Compounds

3-[(3-amino-2-pyridinyl)methylamino]phenol
CID 105468639
N-[(3,5-dibromo-2-pyridinyl)methyl]-3-fluoroaniline
CID 113393630
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
CID 155559046
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
3-fluoro-N-(quinolin-2-ylmethyl)aniline
CID 28774836
3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 126782089
2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
CID 104740080
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8001525

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoroanilino)methyl]pyridin-3-amine?
The IUPAC name of 2-[(3-fluoroanilino)methyl]pyridin-3-amine (CID 105470902) is 2-[(3-fluoroanilino)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3-fluoroanilino)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(3-fluoroanilino)methyl]pyridin-3-amine is Nc1cccnc1CNc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluoroanilino)methyl]pyridin-3-amine?
The InChIKey is NSHCPFVNJFLJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-9-3-1-4-10(7-9)16-8-12-11(14)5-2-6-15-12/h1-7,16H,8,14H2.
What are the key properties of 2-[(3-fluoroanilino)methyl]pyridin-3-amine?
2-[(3-fluoroanilino)methyl]pyridin-3-amine 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 2-[(3-fluoroanilino)methyl]pyridin-3-amine is sourced from PubChem (CID 105470902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).