3-[4-(bromomethyl)pyrimidin-2-yl]quinoline

C14H10BrN3 — CID 112754164

IUPAC3-[4-(bromomethyl)pyrimidin-2-yl]quinoline
SMILESBrCc1ccnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C14H10BrN3/c15-8-12-5-6-16-14(18-12)11-7-10-3-1-2-4-13(10)17-9-11/h1-7,9H,8H2
InChIKeyWYPJGVFIBMZTAZ-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.59
Rot. Bonds2

About 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline

3-[4-(bromomethyl)pyrimidin-2-yl]quinoline (PubChem CID 112754164) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name3-[4-(bromomethyl)pyrimidin-2-yl]quinoline
PubChem CID112754164
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name3-[4-(bromomethyl)pyrimidin-2-yl]quinoline
SMILESBrCc1ccnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C14H10BrN3/c15-8-12-5-6-16-14(18-12)11-7-10-3-1-2-4-13(10)17-9-11/h1-7,9H,8H2
InChIKeyWYPJGVFIBMZTAZ-UHFFFAOYSA-N
XLogP3.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.59
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-quinolin-3-ylpyrimidin-4-yl)methanamine
CID 112754156
6-[4-(bromomethyl)pyrimidin-2-yl]quinoline
CID 114205846
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-pyridin-4-ylquinoline
CID 10081720
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
(2-naphthalen-2-ylpyrimidin-4-yl)methanamine
CID 62749153
3-[4-[7-(4-quinolin-3-yl-1,3,5-triazin-2-yl)phenanthren-2-yl]-1,3,5-triazin-2-yl]quinoline
CID 121287279
2-quinolin-3-yl-1H-pyrimidin-6-one
CID 112754148
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840
3-(1H-pyrazol-5-yl)quinoline
CID 22660698

Frequently Asked Questions

What is the IUPAC name of 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline?
The IUPAC name of 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline (CID 112754164) is 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline.
What is the SMILES notation for 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline?
The canonical SMILES for 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline is BrCc1ccnc(-c2cnc3ccccc3c2)n1.
What is the InChIKey of 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline?
The InChIKey is WYPJGVFIBMZTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-8-12-5-6-16-14(18-12)11-7-10-3-1-2-4-13(10)17-9-11/h1-7,9H,8H2.
What are the key properties of 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline?
3-[4-(bromomethyl)pyrimidin-2-yl]quinoline has a molecular weight of 300.16 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(bromomethyl)pyrimidin-2-yl]quinoline is sourced from PubChem (CID 112754164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).