(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine

C13H12FIN2 — CID 114030256

IUPAC(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccncc2F)c1I
InChIInChI=1S/C13H12FIN2/c1-8-3-2-4-10(12(8)15)13(16)9-5-6-17-7-11(9)14/h2-7,13H,16H2,1H3
InChIKeyWRVPGPOHTDGJAE-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.18
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine

(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine (PubChem CID 114030256) has the molecular formula C13H12FIN2 and a molecular weight of 342.16 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
PubChem CID114030256
Molecular FormulaC13H12FIN2
Molecular Weight342.16 g/mol
Exact Mass342.00
IUPAC Name(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccncc2F)c1I
InChIInChI=1S/C13H12FIN2/c1-8-3-2-4-10(12(8)15)13(16)9-5-6-17-7-11(9)14/h2-7,13H,16H2,1H3
InChIKeyWRVPGPOHTDGJAE-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 82822647
[(2-fluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335451
(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine
CID 114275416
(3-fluoro-4-pyridinyl)-(5-methylpyrazin-2-yl)methanamine
CID 105182010
(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine
CID 114283568
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105181986

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine?
The IUPAC name of (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine (CID 114030256) is (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine is Cc1cccc(C(N)c2ccncc2F)c1I.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine?
The InChIKey is WRVPGPOHTDGJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2/c1-8-3-2-4-10(12(8)15)13(16)9-5-6-17-7-11(9)14/h2-7,13H,16H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine?
(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine has a molecular weight of 342.16 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine is sourced from PubChem (CID 114030256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).