2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine

C16H15Cl2IN8 — CID 159953688

IUPAC2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine
SMILESClc1ccc(I)cn1.Nc1ccn(-c2ccc(Cl)nc2)n1.Nc1ccn[nH]1
InChIInChI=1S/C8H7ClN4.C5H3ClIN.C3H5N3/c9-7-2-1-6(5-11-7)13-4-3-8(10)12-13;6-5-2-1-4(7)3-8-5;4-3-1-2-5-6-3/h1-5H,(H2,10,12);1-3H;1-2H,(H3,4,5,6)
InChIKeyOCLCFADEKIOBLI-UHFFFAOYSA-N
MW517.16 g/mol
LogP3.83
Rot. Bonds1

About 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine

2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine (PubChem CID 159953688) has the molecular formula C16H15Cl2IN8 and a molecular weight of 517.16 g/mol. Its IUPAC name is 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine.

Molecular Properties

Compound Name2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine
PubChem CID159953688
Molecular FormulaC16H15Cl2IN8
Molecular Weight517.16 g/mol
Exact Mass515.98
IUPAC Name2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine
SMILESClc1ccc(I)cn1.Nc1ccn(-c2ccc(Cl)nc2)n1.Nc1ccn[nH]1
InChIInChI=1S/C8H7ClN4.C5H3ClIN.C3H5N3/c9-7-2-1-6(5-11-7)13-4-3-8(10)12-13;6-5-2-1-4(7)3-8-5;4-3-1-2-5-6-3/h1-5H,(H2,10,12);1-3H;1-2H,(H3,4,5,6)
InChIKeyOCLCFADEKIOBLI-UHFFFAOYSA-N
XLogP3.83
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.16
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373659
N-(6-chloro-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373661
N-(2-chloro-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373763
N-(5-chloro-6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373769
4-iodo-2-(trifluoromethyl)pyridine;1H-pyrazol-5-amine;1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-amine
CID 159311475
4-N-(3-chlorophenyl)-5-N-pyridin-3-yl-1H-pyrazole-4,5-diamine
CID 57172676
4-N-(3-chlorophenyl)-5-N-pyridin-4-yl-1H-pyrazole-4,5-diamine
CID 57207045
5-(3-chloro-2-pyridinyl)-1H-pyrazole-3,4-diamine
CID 123810553
1-(5-Chloro-3-pyridinyl)pyrazol-3-amine
CID 134588980
1-(6-Chloro-3-pyridinyl)pyrazol-3-amine
CID 134589230
4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744103
4-[(6-chloro-3-pyridinyl)diazenyl]-3-pyrrolidin-1-yl-1H-pyrazol-5-amine
CID 136397948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine?
The IUPAC name of 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine (CID 159953688) is 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine.
What is the SMILES notation for 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine?
The canonical SMILES for 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine is Clc1ccc(I)cn1.Nc1ccn(-c2ccc(Cl)nc2)n1.Nc1ccn[nH]1.
What is the InChIKey of 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine?
The InChIKey is OCLCFADEKIOBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4.C5H3ClIN.C3H5N3/c9-7-2-1-6(5-11-7)13-4-3-8(10)12-13;6-5-2-1-4(7)3-8-5;4-3-1-2-5-6-3/h1-5H,(H2,10,12);1-3H;1-2H,(H3,4,5,6).
What are the key properties of 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine?
2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine has a molecular weight of 517.16 g/mol, XLogP of 3.83, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)pyrazol-3-amine;1H-pyrazol-5-amine is sourced from PubChem (CID 159953688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).