(2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine

C12H9BrFIN2 — CID 114026972

IUPAC(2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)c1cc(I)ccc1Br
InChIInChI=1S/C12H9BrFIN2/c13-11-2-1-9(15)4-10(11)12(16)7-3-8(14)6-17-5-7/h1-6,12H,16H2
InChIKeyWVETUASDWMQCEA-UHFFFAOYSA-N
MW407.02 g/mol
LogP3.64
Rot. Bonds2

About (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine

(2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 114026972) has the molecular formula C12H9BrFIN2 and a molecular weight of 407.02 g/mol. Its IUPAC name is (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine
PubChem CID114026972
Molecular FormulaC12H9BrFIN2
Molecular Weight407.02 g/mol
Exact Mass405.90
IUPAC Name(2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)c1cc(I)ccc1Br
InChIInChI=1S/C12H9BrFIN2/c13-11-2-1-9(15)4-10(11)12(16)7-3-8(14)6-17-5-7/h1-6,12H,16H2
InChIKeyWVETUASDWMQCEA-UHFFFAOYSA-N
XLogP3.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.02
LogP ≤ 53.64
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

(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine
CID 115805107
(5-fluoro-3-pyridinyl)-pyrazolo[1,5-a]pyridin-3-ylmethanamine
CID 103126298
(5-fluoro-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105102336
(5-fluoro-3-pyridinyl)-quinolin-5-ylmethanamine
CID 105102211
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 106464908
[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol
CID 114981057
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
CID 130713970
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-iodoaniline
CID 114080544
(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 115804928

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine (CID 114026972) is (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine is NC(c1cncc(F)c1)c1cc(I)ccc1Br.
What is the InChIKey of (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is WVETUASDWMQCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFIN2/c13-11-2-1-9(15)4-10(11)12(16)7-3-8(14)6-17-5-7/h1-6,12H,16H2.
What are the key properties of (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine?
(2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 407.02 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 114026972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).