N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine

C12H11FIN3 — CID 58259051

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine
SMILESCc1nc(NCc2cncc(F)c2)ccc1I
InChIInChI=1S/C12H11FIN3/c1-8-11(14)2-3-12(17-8)16-6-9-4-10(13)7-15-5-9/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyUPEMSIOLFYNJJO-UHFFFAOYSA-N
MW343.14 g/mol
LogP3.14
Rot. Bonds3

About N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine

N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine (PubChem CID 58259051) has the molecular formula C12H11FIN3 and a molecular weight of 343.14 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine
PubChem CID58259051
Molecular FormulaC12H11FIN3
Molecular Weight343.14 g/mol
Exact Mass343.00
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine
SMILESCc1nc(NCc2cncc(F)c2)ccc1I
InChIInChI=1S/C12H11FIN3/c1-8-11(14)2-3-12(17-8)16-6-9-4-10(13)7-15-5-9/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyUPEMSIOLFYNJJO-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine
CID 58259096
2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-methylaniline
CID 104953898
N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline
CID 104953842
N-[(5-fluoro-3-pyridinyl)methyl]thiadiazol-5-amine
CID 130710800
3-bromo-4-[(5-fluoro-3-pyridinyl)methylamino]benzonitrile
CID 114084298
4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline
CID 107268067
1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104953350
7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202740
N-(5-iodo-6-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75448255
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 104953648
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 131008593

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine (CID 58259051) is N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine is Cc1nc(NCc2cncc(F)c2)ccc1I.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine?
The InChIKey is UPEMSIOLFYNJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3/c1-8-11(14)2-3-12(17-8)16-6-9-4-10(13)7-15-5-9/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine?
N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine has a molecular weight of 343.14 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-5-iodo-6-methylpyridin-2-amine is sourced from PubChem (CID 58259051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).