5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine

C10H8Cl3N3 — CID 114921166

IUPAC5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine
SMILESCc1nn(-c2cc(CCl)c(Cl)cn2)cc1Cl
InChIInChI=1S/C10H8Cl3N3/c1-6-9(13)5-16(15-6)10-2-7(3-11)8(12)4-14-10/h2,4-5H,3H2,1H3
InChIKeyZXXCWFSPZSZDRI-UHFFFAOYSA-N
MW276.55 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine

5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine (PubChem CID 114921166) has the molecular formula C10H8Cl3N3 and a molecular weight of 276.55 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine
PubChem CID114921166
Molecular FormulaC10H8Cl3N3
Molecular Weight276.55 g/mol
Exact Mass274.98
IUPAC Name5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine
SMILESCc1nn(-c2cc(CCl)c(Cl)cn2)cc1Cl
InChIInChI=1S/C10H8Cl3N3/c1-6-9(13)5-16(15-6)10-2-7(3-11)8(12)4-14-10/h2,4-5H,3H2,1H3
InChIKeyZXXCWFSPZSZDRI-UHFFFAOYSA-N
XLogP3.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
CID 114921158
5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
CID 114921142
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427
(E)-3-[6-(4-chloro-3-methylpyrazol-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80633271
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 114920871
1-[5-chloro-4-(chloromethyl)-2-pyridinyl]-4-methylazepane
CID 114921058
5-chloro-4-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
CID 114921140
5-chloro-4-(chloromethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine
CID 114921090
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol
CID 114920544
N-[[5-chloro-2-(4-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927370
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
CID 114920876
[2-(4-chloro-3-methylpyrazol-1-yl)-5-methylphenyl]methanamine
CID 107926419

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine (CID 114921166) is 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine is Cc1nn(-c2cc(CCl)c(Cl)cn2)cc1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine?
The InChIKey is ZXXCWFSPZSZDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3/c1-6-9(13)5-16(15-6)10-2-7(3-11)8(12)4-14-10/h2,4-5H,3H2,1H3.
What are the key properties of 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine?
5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine has a molecular weight of 276.55 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 114921166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).