iron;pyridin-3-amine

C5H6FeN2 — CID 174751178

IUPACiron;pyridin-3-amine
SMILESNc1cccnc1.[Fe]
InChIInChI=1S/C5H6N2.Fe/c6-5-2-1-3-7-4-5;/h1-4H,6H2;
InChIKeyDVYUZSCYPKXBKC-UHFFFAOYSA-N
MW149.96 g/mol
LogP0.66
Rot. Bonds

About iron;pyridin-3-amine

iron;pyridin-3-amine (PubChem CID 174751178) has the molecular formula C5H6FeN2 and a molecular weight of 149.96 g/mol. Its IUPAC name is iron;pyridin-3-amine.

Molecular Properties

Compound Nameiron;pyridin-3-amine
PubChem CID174751178
Molecular FormulaC5H6FeN2
Molecular Weight149.96 g/mol
Exact Mass149.99
IUPAC Nameiron;pyridin-3-amine
SMILESNc1cccnc1.[Fe]
InChIInChI=1S/C5H6N2.Fe/c6-5-2-1-3-7-4-5;/h1-4H,6H2;
InChIKeyDVYUZSCYPKXBKC-UHFFFAOYSA-N
XLogP0.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.96
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(pyridin-3-amine);hydrate
CID 172803625
hydrogen peroxide;pyridin-3-amine
CID 87884226
molecular hydrogen;propane;pyridin-3-amine
CID 156868620
pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139202621
ethane;2-methylpyridine;pyridin-3-amine
CID 143747996
3-methylbutanoic acid;pyridin-3-amine
CID 143630380
ethyl propanoate;pyridin-3-amine;dihydrochloride
CID 174751108
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
copper;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(pyridin-3-amine);diperchlorate
CID 139059899
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
2-N-pyridin-3-ylpyridine-2,5-diamine
CID 4764177

Frequently Asked Questions

What is the IUPAC name of iron;pyridin-3-amine?
The IUPAC name of iron;pyridin-3-amine (CID 174751178) is iron;pyridin-3-amine.
What is the SMILES notation for iron;pyridin-3-amine?
The canonical SMILES for iron;pyridin-3-amine is Nc1cccnc1.[Fe].
What is the InChIKey of iron;pyridin-3-amine?
The InChIKey is DVYUZSCYPKXBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.Fe/c6-5-2-1-3-7-4-5;/h1-4H,6H2;.
What are the key properties of iron;pyridin-3-amine?
iron;pyridin-3-amine has a molecular weight of 149.96 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;pyridin-3-amine is sourced from PubChem (CID 174751178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).