2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine

C9H6Cl2IN3 — CID 106994202

IUPAC2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine
SMILESClc1ccc(Cn2cc(I)cn2)c(Cl)n1
InChIInChI=1S/C9H6Cl2IN3/c10-8-2-1-6(9(11)14-8)4-15-5-7(12)3-13-15/h1-3,5H,4H2
InChIKeyRLCPBYCARLYLJF-UHFFFAOYSA-N
MW353.98 g/mol
LogP3.24
Rot. Bonds2

About 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine

2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine (PubChem CID 106994202) has the molecular formula C9H6Cl2IN3 and a molecular weight of 353.98 g/mol. Its IUPAC name is 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine
PubChem CID106994202
Molecular FormulaC9H6Cl2IN3
Molecular Weight353.98 g/mol
Exact Mass352.90
IUPAC Name2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine
SMILESClc1ccc(Cn2cc(I)cn2)c(Cl)n1
InChIInChI=1S/C9H6Cl2IN3/c10-8-2-1-6(9(11)14-8)4-15-5-7(12)3-13-15/h1-3,5H,4H2
InChIKeyRLCPBYCARLYLJF-UHFFFAOYSA-N
XLogP3.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.98
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[3-chloro-4-[(4-iodopyrazol-1-yl)methyl]phenyl]methanamine
CID 102663301
3-chloro-4-[(4-iodopyrazol-1-yl)methyl]benzenecarbothioamide
CID 102666438
1-[(4-bromo-2-nitrophenyl)methyl]-4-iodopyrazole
CID 114382335
4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
1-[[2-chloro-4-(cyclopropylmethoxy)phenyl]methyl]-4-iodopyrazole
CID 118344311
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole
CID 102878282
1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole
CID 78997457
4-[(4-iodopyrazol-1-yl)methyl]-3-methylbenzoic acid
CID 114485641
[1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
CID 146194144
1-(fluoromethyl)-4-iodopyrazole
CID 170247528
5-[(2,6-dichloro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106994934
2-[(2,6-dichloro-3-pyridinyl)methyl]phthalazin-1-one
CID 106994017

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine (CID 106994202) is 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine is Clc1ccc(Cn2cc(I)cn2)c(Cl)n1.
What is the InChIKey of 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine?
The InChIKey is RLCPBYCARLYLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2IN3/c10-8-2-1-6(9(11)14-8)4-15-5-7(12)3-13-15/h1-3,5H,4H2.
What are the key properties of 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine?
2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine has a molecular weight of 353.98 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(4-iodopyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 106994202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).