5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine

C9H9IN4 — CID 130643757

IUPAC5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
SMILESIc1ccc(NCc2ccn[nH]2)nc1
InChIInChI=1S/C9H9IN4/c10-7-1-2-9(11-5-7)12-6-8-3-4-13-14-8/h1-5H,6H2,(H,11,12)(H,13,14)
InChIKeyNXKXLANTMQJUQR-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.02
Rot. Bonds3

About 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine

5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine (PubChem CID 130643757) has the molecular formula C9H9IN4 and a molecular weight of 300.10 g/mol. Its IUPAC name is 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
PubChem CID130643757
Molecular FormulaC9H9IN4
Molecular Weight300.10 g/mol
Exact Mass299.99
IUPAC Name5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
SMILESIc1ccc(NCc2ccn[nH]2)nc1
InChIInChI=1S/C9H9IN4/c10-7-1-2-9(11-5-7)12-6-8-3-4-13-14-8/h1-5H,6H2,(H,11,12)(H,13,14)
InChIKeyNXKXLANTMQJUQR-UHFFFAOYSA-N
XLogP2.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-pyridinylamine
CID 1473015
(S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CID 25171663
(S)-N6-(1-(5-fluoropyridin-2-yl)ethyl)-3-methyl-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CID 25172086
3-methyl-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 46912430
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 60154331
5-bromo-4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 60154340
Pyridine, 2-(4-aminopyrazol-1-yl)-
CID 206681
1-((pyridin-2-yl)methyl)-1H-pyrazol-5-amine
CID 2565951
4-(1H-pyrazol-4-yl)pyrimidine
CID 5073229
3-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 6484152
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
CID 676764

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine (CID 130643757) is 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine is Ic1ccc(NCc2ccn[nH]2)nc1.
What is the InChIKey of 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine?
The InChIKey is NXKXLANTMQJUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4/c10-7-1-2-9(11-5-7)12-6-8-3-4-13-14-8/h1-5H,6H2,(H,11,12)(H,13,14).
What are the key properties of 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine?
5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine has a molecular weight of 300.10 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 130643757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).