2-[4-(chloromethyl)pyrimidin-2-yl]quinoline

C14H10ClN3 — CID 63222282

IUPAC2-[4-(chloromethyl)pyrimidin-2-yl]quinoline
SMILESClCc1ccnc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C14H10ClN3/c15-9-11-7-8-16-14(17-11)13-6-5-10-3-1-2-4-12(10)18-13/h1-8H,9H2
InChIKeyUFTCTDCZKHJSBK-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.43
Rot. Bonds2

About 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline

2-[4-(chloromethyl)pyrimidin-2-yl]quinoline (PubChem CID 63222282) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name2-[4-(chloromethyl)pyrimidin-2-yl]quinoline
PubChem CID63222282
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name2-[4-(chloromethyl)pyrimidin-2-yl]quinoline
SMILESClCc1ccnc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C14H10ClN3/c15-9-11-7-8-16-14(17-11)13-6-5-10-3-1-2-4-12(10)18-13/h1-8H,9H2
InChIKeyUFTCTDCZKHJSBK-UHFFFAOYSA-N
XLogP3.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.43
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

2-(4-chloropyrimidin-2-yl)quinoline
CID 63222790
4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
CID 63222410
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine
CID 62747062
(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 55163117
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 116645207
1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
CID 114755499
4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine
CID 62747252
4-(chloromethyl)-2-(phenoxymethyl)pyrimidine
CID 62746871
4-quinolin-2-ylpyridin-2-amine
CID 82556017
(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol
CID 79599904

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline?
The IUPAC name of 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline (CID 63222282) is 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline.
What is the SMILES notation for 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline?
The canonical SMILES for 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline is ClCc1ccnc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline?
The InChIKey is UFTCTDCZKHJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-9-11-7-8-16-14(17-11)13-6-5-10-3-1-2-4-12(10)18-13/h1-8H,9H2.
What are the key properties of 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline?
2-[4-(chloromethyl)pyrimidin-2-yl]quinoline has a molecular weight of 255.71 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)pyrimidin-2-yl]quinoline is sourced from PubChem (CID 63222282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).