6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine

C11H12FN3 — CID 115663458

IUPAC6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine
SMILESCn1cccc1CNc1cccc(F)n1
InChIInChI=1S/C11H12FN3/c1-15-7-3-4-9(15)8-13-11-6-2-5-10(12)14-11/h2-7H,8H2,1H3,(H,13,14)
InChIKeyCLCUFQNEKZEIBO-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.17
Rot. Bonds3

About 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine

6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine (PubChem CID 115663458) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine
PubChem CID115663458
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine
SMILESCn1cccc1CNc1cccc(F)n1
InChIInChI=1S/C11H12FN3/c1-15-7-3-4-9(15)8-13-11-6-2-5-10(12)14-11/h2-7H,8H2,1H3,(H,13,14)
InChIKeyCLCUFQNEKZEIBO-UHFFFAOYSA-N
XLogP2.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine
CID 116519992
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
CID 29008129
N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine
CID 115591104
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 106375630
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636
N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
CID 64597219
N-(2-ethylbutyl)-6-fluoropyridin-2-amine
CID 75355438
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
4-iodo-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876919
N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
CID 102808091
6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60579306

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine (CID 115663458) is 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine is Cn1cccc1CNc1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine?
The InChIKey is CLCUFQNEKZEIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-7-3-4-9(15)8-13-11-6-2-5-10(12)14-11/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine?
6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine has a molecular weight of 205.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115663458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).