N-(6-bromo-7-methylisoquinolin-3-yl)formamide

C11H9BrN2O — CID 163277837

IUPACN-(6-bromo-7-methylisoquinolin-3-yl)formamide
SMILESCc1cc2cnc(NC=O)cc2cc1Br
InChIInChI=1S/C11H9BrN2O/c1-7-2-9-5-13-11(14-6-15)4-8(9)3-10(7)12/h2-6H,1H3,(H,13,14,15)
InChIKeySPTIVPZPAOEQQJ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.87
Rot. Bonds2

About N-(6-bromo-7-methylisoquinolin-3-yl)formamide

N-(6-bromo-7-methylisoquinolin-3-yl)formamide (PubChem CID 163277837) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is N-(6-bromo-7-methylisoquinolin-3-yl)formamide.

Molecular Properties

Compound NameN-(6-bromo-7-methylisoquinolin-3-yl)formamide
PubChem CID163277837
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC NameN-(6-bromo-7-methylisoquinolin-3-yl)formamide
SMILESCc1cc2cnc(NC=O)cc2cc1Br
InChIInChI=1S/C11H9BrN2O/c1-7-2-9-5-13-11(14-6-15)4-8(9)3-10(7)12/h2-6H,1H3,(H,13,14,15)
InChIKeySPTIVPZPAOEQQJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-5-methyl-2-pyridinyl)formamide
CID 144727601
N-(5-bromo-4-chloro-2-pyridinyl)formamide
CID 130765966
N-(5-bromo-2-pyridinyl)formamide
CID 3267780
N-(2,4-dibromo-6-methylphenyl)formamide
CID 168652451
N-[3-(4-methyl-3-pyridinyl)-2-oxo-1H-1,6-naphthyridin-7-yl]formamide
CID 166123529
N-[5-(4-methylphenyl)-2-pyridinyl]formamide
CID 87377531
cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide
CID 171555568
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
N-(7-bromoisoquinolin-3-yl)acetamide
CID 143763768
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-[6-cyano-7-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]isoquinolin-3-yl]formamide
CID 171555681
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-7-methylisoquinolin-3-yl)formamide?
The IUPAC name of N-(6-bromo-7-methylisoquinolin-3-yl)formamide (CID 163277837) is N-(6-bromo-7-methylisoquinolin-3-yl)formamide.
What is the SMILES notation for N-(6-bromo-7-methylisoquinolin-3-yl)formamide?
The canonical SMILES for N-(6-bromo-7-methylisoquinolin-3-yl)formamide is Cc1cc2cnc(NC=O)cc2cc1Br.
What is the InChIKey of N-(6-bromo-7-methylisoquinolin-3-yl)formamide?
The InChIKey is SPTIVPZPAOEQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-7-2-9-5-13-11(14-6-15)4-8(9)3-10(7)12/h2-6H,1H3,(H,13,14,15).
What are the key properties of N-(6-bromo-7-methylisoquinolin-3-yl)formamide?
N-(6-bromo-7-methylisoquinolin-3-yl)formamide has a molecular weight of 265.11 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-7-methylisoquinolin-3-yl)formamide is sourced from PubChem (CID 163277837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).