2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine

C9H8ClN3 — CID 91434978

IUPAC2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine
SMILESClC1N=CCC(c2cccnc2)=N1
InChIInChI=1S/C9H8ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-2,4-6,9H,3H2
InChIKeyHITFPPLNXJNBNX-UHFFFAOYSA-N
MW193.64 g/mol
LogP1.87
Rot. Bonds1

About 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine

2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine (PubChem CID 91434978) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine.

Molecular Properties

Compound Name2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine
PubChem CID91434978
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine
SMILESClC1N=CCC(c2cccnc2)=N1
InChIInChI=1S/C9H8ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-2,4-6,9H,3H2
InChIKeyHITFPPLNXJNBNX-UHFFFAOYSA-N
XLogP1.87
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine
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3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane
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3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
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pyridin-3-yl hypochlorite
CID 91164948
2-pyridin-3-ylpyridine;dihydrochloride
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3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine?
The IUPAC name of 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine (CID 91434978) is 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine.
What is the SMILES notation for 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine?
The canonical SMILES for 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine is ClC1N=CCC(c2cccnc2)=N1.
What is the InChIKey of 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine?
The InChIKey is HITFPPLNXJNBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-2,4-6,9H,3H2.
What are the key properties of 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine?
2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine has a molecular weight of 193.64 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyridin-3-yl-2,5-dihydropyrimidine is sourced from PubChem (CID 91434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).