6-[4-(bromomethyl)pyrimidin-2-yl]quinoline

C14H10BrN3 — CID 114205846

IUPAC6-[4-(bromomethyl)pyrimidin-2-yl]quinoline
SMILESBrCc1ccnc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C14H10BrN3/c15-9-12-5-7-17-14(18-12)11-3-4-13-10(8-11)2-1-6-16-13/h1-8H,9H2
InChIKeyGJCLDDBOOCFDSI-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.59
Rot. Bonds2

About 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline

6-[4-(bromomethyl)pyrimidin-2-yl]quinoline (PubChem CID 114205846) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name6-[4-(bromomethyl)pyrimidin-2-yl]quinoline
PubChem CID114205846
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name6-[4-(bromomethyl)pyrimidin-2-yl]quinoline
SMILESBrCc1ccnc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C14H10BrN3/c15-9-12-5-7-17-14(18-12)11-3-4-13-10(8-11)2-1-6-16-13/h1-8H,9H2
InChIKeyGJCLDDBOOCFDSI-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

3-[4-(bromomethyl)pyrimidin-2-yl]quinoline
CID 112754164
N-[(2-quinolin-6-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 63094938
6-(1H-azirin-2-yl)quinoline
CID 146540612
(2-naphthalen-2-ylpyrimidin-4-yl)methanamine
CID 62749153
(2-quinolin-3-ylpyrimidin-4-yl)methanamine
CID 112754156
(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 63097229
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
CID 66304285
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
6-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62634784

Frequently Asked Questions

What is the IUPAC name of 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline?
The IUPAC name of 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline (CID 114205846) is 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline.
What is the SMILES notation for 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline?
The canonical SMILES for 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline is BrCc1ccnc(-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline?
The InChIKey is GJCLDDBOOCFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-9-12-5-7-17-14(18-12)11-3-4-13-10(8-11)2-1-6-16-13/h1-8H,9H2.
What are the key properties of 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline?
6-[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 6-[4-(bromomethyl)pyrimidin-2-yl]quinoline is sourced from PubChem (CID 114205846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).